MiMeDB: Showing metabocard for Phospholipid olefinic fatty acid (MMDBc0031943)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:55:58 UTC

Update Date

2022-08-31 18:26:40 UTC

Metabolite ID

MMDBc0031943

Metabolite Identification

Common Name

Phospholipid olefinic fatty acid

Description

Any fatty acid containing at least one C=C double bond

Structure

MOL SDF PDB SMILES InChI

HEADER    PROTEIN                                 08-JUN-15   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-JUN-15         0                                  
HETATM    1  C   UNK     0      22.839 -16.893   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.155 -16.129   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.839 -18.433   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      21.522 -16.129   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      25.493 -16.893   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      24.155 -14.610   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      24.155 -19.211   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      21.515 -19.190   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      25.493 -18.433   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      26.810 -16.129   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      24.155 -20.730   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      26.817 -19.190   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1                                                            
CONECT    5    2    9   10                                                  
CONECT    6    2                                                            
CONECT    7    3   11    9                                                  
CONECT    8    3                                                            
CONECT    9    5   12    7                                                  
CONECT   10    5                                                            
CONECT   11    7                                                            
CONECT   12    9                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

Synonyms

Value	Source
(1,3,5/2,4,6)-6-aminocyclohexane-1,2,3,4,5-pentol	ChEBI
(1R,2S,3R,4R,5S,6S)-6-Aminocyclohexane-1,2,3,4,5-pentol	ChEBI
Scyllo-inosamine	ChEBI

Molecular Formula

C₆H₁₃NO₅

Average Mass

179.172

Monoisotopic Mass

179.079372523

IUPAC Name

(1R,2S,3r,4R,5S,6s)-6-aminocyclohexane-1,2,3,4,5-pentol

Traditional Name

scyllo-inosamine

CAS Registry Number

Not Available

SMILES

N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/t1-,2-,3+,4+,5-,6-

InChI Key

JXAOTICXQLILTC-CDRYSYESSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitols. These are cyclitols with at least one hydroxyl group replace by an amino group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Aminocyclitols

Alternative Parents

Substituents

Aminocyclitol
Cyclohexylamine
Cyclohexanol
Secondary alcohol
1,2-aminoalcohol
Polyol
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

amino cyclitol (CHEBI:16181 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	400 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-3.9	ChemAxon
logS	0.35	ALOGPS
pKa (Strongest Acidic)	12.5	ChemAxon
pKa (Strongest Basic)	8.29	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	127.17 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	37.43 m³·mol⁻¹	ChemAxon
Polarizability	16.54 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_6_4) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0900000000-393f63884d842299b5fe	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01q9-1900000000-59c8e90807d207643c4f	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0btc-9200000000-6d3e20a6befa2d480798	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-2900000000-c44d409e404d8f0f57ec	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-6900000000-48d61be2399f7c9d3107	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a6r-9100000000-9135b0fcf0f2b38bcfc1	2015-09-15	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	438.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	395.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	47.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	237.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	335.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	365.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	686.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	744.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	1094.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	199.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	339.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	209.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	18.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	452.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	735.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	94.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	315.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	937.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	656.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1N	standard non polar	2025-10-24	1766.54
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2172.3
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2159.36
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)[C@H]1O	standard non polar	2025-10-24	2210.13
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1952.87
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_6	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1838.17
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_7	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2533.71
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_8	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1936.05
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N	standard non polar	2025-10-24	2321.28
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N	standard non polar	2025-10-24	1895.15
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_11	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1658.58
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2758.46
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1878.93
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1745.0
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_15	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2587.08
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_16	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](N)[C@H]1O	standard non polar	2025-10-24	2362.09
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](N)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2168.77
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_18	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2036.32
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_19	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2336.02
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_20	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2046.57
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_21	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1452.22
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_22	C[Si](C)(C)N([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)[Si](C)(C)C	standard non polar	2025-10-24	1945.11
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N	standard non polar	2025-10-24	2261.26
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_24	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2113.41
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_25	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1842.08
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_26	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2343.7
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_27	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1938.06
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](N)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1967.3
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_29	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2330.29
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_30	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N	standard non polar	2025-10-24	2596.56
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_31	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1877.3
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_32	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1918.49
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_33	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1592.07
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_34	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1326.31
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_35	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2283.2
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_36	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2299.51
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_37	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2038.69
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_38	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1946.5
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_39	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1438.55
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_40	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1879.82
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_41	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1968.28
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_42	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2088.85
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_43	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2040.21
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1629.09
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_45	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1457.44
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2077.88
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_47	C[Si](C)(C)O[C@@H]1[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2265.04
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_48	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1649.34
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_49	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N	standard non polar	2025-10-24	2836.11
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_50	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2146.46
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_51	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2176.81
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_52	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2152.24
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_53	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2342.44
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_54	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1997.11
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_55	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3076.7
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_56	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1725.92
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_57	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1309.49
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_58	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2100.54
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_59	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2791.87
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_60	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1600.05
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_61	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1992.94
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_62	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2750.91
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_63	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1099.11
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_64	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1841.18
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_65	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2190.6
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_66	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1638.04
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_67	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1838.94
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_68	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1719.74
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_69	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2115.09
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_70	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1640.02
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_71	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1776.19
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_72	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1372.85
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_73	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2845.05
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_74	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1898.38
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_75	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2180.43
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_76	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1179.55
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_77	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1134.39
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_78	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2151.63
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_79	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1473.47
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_80	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2654.74
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_81	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1927.57
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_82	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2050.28
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_83	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1749.49
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_84	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2281.01
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_85	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1832.93
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_86	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2515.85
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_87	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2700.87
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_88	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2657.29
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_89	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1850.4
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_90	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1688.15
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_91	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	987.575
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_92	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1746.56
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_93	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1429.78
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_94	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1172.25
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_95	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2377.81
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1N	standard polar	2025-10-24	2214.32
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2152.6
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)[C@H]1O	standard polar	2025-10-24	1955.18
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)[C@H]1O	standard polar	2025-10-24	2019.24
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2465.93
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_6	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2016.79
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_7	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1765.72
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_8	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2277.21
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1N	standard polar	2025-10-24	1648.98
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N	standard polar	2025-10-24	2150.36
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_11	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2017.29
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2333.6
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2300.47
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2389.68
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_15	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2708.53
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_16	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](N)[C@H]1O	standard polar	2025-10-24	1991.03
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](N)[C@H](O)[C@H]1O	standard polar	2025-10-24	1192.67
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_18	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2102.18
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_19	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2430.27
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_20	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2362.73
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_21	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1932.14
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_22	C[Si](C)(C)N([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)[Si](C)(C)C	standard polar	2025-10-24	2172.79
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N	standard polar	2025-10-24	2413.54
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_24	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2017.24
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_25	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2321.78
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_26	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1484.68
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_27	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2084.98
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](N)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2088.6
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_29	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2469.24
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_30	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N	standard polar	2025-10-24	1972.43
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_31	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2410.08
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_32	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1888.63
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_33	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1829.59
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_34	C[Si](C)(C)O[C@@H]1[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1978.66
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_35	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1851.17
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_36	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2149.97
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_37	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1488.27
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_38	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2317.23
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_39	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1969.86
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_40	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1931.91
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_41	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N)[C@H](O)[C@H]1O	standard polar	2025-10-24	3156.83
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_42	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2406.78
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_43	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2778.76
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2196.42
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_45	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1517.29
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1900.98
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_47	C[Si](C)(C)O[C@@H]1[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1957.88
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_48	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2838.72
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_49	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N	standard polar	2025-10-24	2509.11
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_50	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2186.09
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_51	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2216.29
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_52	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2272.51
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_53	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1323.37
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_54	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1144.14
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_55	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2456.74
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_56	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1723.73
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_57	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1941.41
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_58	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1204.83
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_59	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2450.15
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_60	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2120.03
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_61	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1902.28
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_62	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](N)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2189.52
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_63	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1717.79
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_64	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1815.8
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_65	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1716.7
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_66	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2642.24
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_67	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1561.51
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_68	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2705.87
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_69	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2772.17
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_70	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1635.29
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_71	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1655.8
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_72	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1794.74
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_73	C[Si](C)(C)O[C@H]1[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2424.98
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_74	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1632.61
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_75	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2437.2
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_76	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	3058.16
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_77	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2213.13
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_78	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1790.01
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_79	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2009.94
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_80	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1094.67
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_81	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2028.81
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_82	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2387.93
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_83	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1740.31
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_84	C[Si](C)(C)N[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1474.59
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_85	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1752.69
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_86	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2153.18
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_87	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2208.78
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_88	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1917.05
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_89	C[Si](C)(C)N[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2015.31
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_90	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1681.98
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_91	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1936.71
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_92	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3172.99
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_93	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1588.93
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_94	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2139.27
Gas Chromatography	Phospholipid olefinic fatty acid_TMS_95	C[Si](C)(C)O[C@H]1[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1012.18

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C01214

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

16181

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for Phospholipid olefinic fatty acid (MMDBc0031943)

MOL for #<Metabolite:0x00007f9a8c3d6778>

3D MOL for #<Metabolite:0x00007f9a8c3d6778>

3D SDF for #<Metabolite:0x00007f9a8c3d6778>

3D-SDF for #<Metabolite:0x00007f9a8c3d6778>

PDB for #<Metabolite:0x00007f9a8c3d6778>

3D PDB for #<Metabolite:0x00007f9a8c3d6778>

SMILES for #<Metabolite:0x00007f9a8c3d6778>

INCHI for #<Metabolite:0x00007f9a8c3d6778>

Structure for #<Metabolite:0x00007f9a8c3d6778>

3D Structure for #<Metabolite:0x00007f9a8c3d6778>