MiMeDB: Showing metabocard for N-acetyl-alpha-D-hexosamine 1-phosphate (MMDBc0054574)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:18:46 UTC

Update Date

2025-10-07 16:08:34 UTC

Metabolite ID

MMDBc0054574

Metabolite Identification

Common Name

N-acetyl-alpha-D-hexosamine 1-phosphate

Description

N-acetyl-alpha-D-hexosamine 1-phosphate is a phosphorylated amino sugar belonging to the class of hexosamines. There is limited literature available on this metabolite, indicating a need for further research to understand its biological significance and potential roles in metabolic pathways.

Structure

MOL SDF PDB SMILES InChI

 
  Mrv1533006051512232D          
 
 19 19  0  0  1  0            999 V2000
   15.2140  -11.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2140  -10.9173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4950  -12.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4950  -10.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9256  -10.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7797  -11.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4950  -12.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7797  -10.9173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9256   -9.6798    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0758  -12.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0758  -10.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9256   -8.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7506   -9.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1043   -9.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4476  -11.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9456  -12.1588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6718  -11.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3980  -12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6718  -10.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  1  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
  6  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054574

> <DATABASE_NAME>
MIME

> <SMILES>
CC(=O)NC1C(O)C(O)[C@@H](CO)O[C@@H]1OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5?,6?,7?,8-/m1/s1

> <INCHI_KEY>
FZLJPEPAYPUMMR-YVKWHVBHSA-N

> <FORMULA>
C8H16NO9P

> <MOLECULAR_WEIGHT>
301.188

> <EXACT_MASS>
301.056268097

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
25.370403076193597

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.00

> <JCHEM_LOGP>
-3.3441404429999997

> <ALOGPS_LOGS>
-1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.238176777203131

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1769426926362891

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5739791759132933

> <JCHEM_POLAR_SURFACE_AREA>
165.78

> <JCHEM_REFRACTIVITY>
57.8976

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.84e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-JUN-15   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-JUN-15         0                                  
HETATM    1  C   UNK     0      28.400 -21.919   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      28.400 -20.379   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      27.057 -22.689   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      27.057 -19.609   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      29.728 -19.609   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      25.722 -21.919   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      27.057 -24.222   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      25.722 -20.379   0.000  0.00  0.00           C+0
HETATM    9  P   UNK     0      29.728 -18.069   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0      24.408 -22.689   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      24.408 -19.609   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      29.728 -16.536   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      31.268 -18.069   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      28.195 -18.069   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      23.236 -20.605   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      29.765 -22.696   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      31.121 -21.914   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      32.476 -22.696   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      31.121 -20.349   0.000  0.00  0.00           O+0
CONECT    1    2    3   16                                                  
CONECT    2    1    4    5                                                  
CONECT    3    1    6    7                                                  
CONECT    4    2    8                                                       
CONECT    5    2    9                                                       
CONECT    6    3   10    8                                                  
CONECT    7    3                                                            
CONECT    8    4   11    6                                                  
CONECT    9    5   12   13   14                                             
CONECT   10    6                                                            
CONECT   11    8   15                                                       
CONECT   12    9                                                            
CONECT   13    9                                                            
CONECT   14    9                                                            
CONECT   15   11                                                            
CONECT   16    1   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

Synonyms

Value	Source
N-Acetyl-a-D-hexosamine 1-phosphate	Generator
N-Acetyl-a-D-hexosamine 1-phosphoric acid	Generator
N-Acetyl-alpha-D-hexosamine 1-phosphoric acid	Generator
N-Acetyl-α-D-hexosamine 1-phosphate	Generator
N-Acetyl-α-D-hexosamine 1-phosphoric acid	Generator

Molecular Formula

C₈H₁₆NO₉P

Average Mass

301.188

Monoisotopic Mass

301.056268097

IUPAC Name

{[(2R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

Traditional Name

[(2R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

CC(=O)NC1C(O)C(O)[C@@H](CO)O[C@@H]1OP(O)(O)=O

InChI Identifier

InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5?,6?,7?,8-/m1/s1

InChI Key

FZLJPEPAYPUMMR-YVKWHVBHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

N-acyl-alpha-hexosamine
Hexose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Alkyl phosphate
Acetamide
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Primary alcohol
Carbonyl group
Organonitrogen compound
Organic oxide
Alcohol
Organopnictogen compound
Organic nitrogen compound
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

phospho sugar (CHEBI:81474 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	18.4 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.3	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.18	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.78 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.9 m³·mol⁻¹	ChemAxon
Polarizability	25.37 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_5_4) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-2096000000-e53b25491484b97a9340	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0f7n-8291000000-0484625ad8ff2894f4ef	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0007-9310000000-5ab12a446ee7c0ab5907	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002s-9201000000-056a55d3c4355491d46a	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9100000000-7f15395993bd262d2b95	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-0fc2f90e4614dde0255f	2019-02-23	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	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)	2025-10-24	560.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	481.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	52.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	245.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	322.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	298.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	440.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	900.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	911.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	166.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	472.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	177.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	21.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	563.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	829.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	75.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	327.8
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	755.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	610.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_1	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	1647.99
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_2	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	2258.55
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_3	CC(=O)NC1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	1893.49
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_4	CC(=O)NC1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1786.25
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_5	CC(=O)N(C1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	1655.81
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_6	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	2162.22
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_7	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	1872.23
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_8	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1423.88
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_9	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	1891.43
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_10	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	2172.7
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_11	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2046.76
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_12	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	2281.32
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_13	CC(=O)NC1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2344.89
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_14	CC(=O)N(C1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	1984.99
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_15	CC(=O)NC1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1845.07
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_16	CC(=O)N(C1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1780.57
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_17	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard non polar	2025-10-24	1573.13
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_18	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2007.07
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_19	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	2172.81
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_20	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2864.44
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_21	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	1977.96
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_22	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2037.23
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_23	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2595.03
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_24	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1425.06
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_25	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	2327.68
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_26	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1899.37
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_27	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2322.17
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_28	CC(=O)NC1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2195.61
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_29	CC(=O)N(C1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1760.36
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_30	CC(=O)N(C1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2639.32
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_31	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2188.63
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_32	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	1752.72
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_33	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1208.14
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_34	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1464.98
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_35	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1522.56
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_36	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1844.6
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_37	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1975.3
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_38	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2511.36
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_39	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2130.42
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_40	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1463.54
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_41	CC(=O)N(C1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1629.49
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_42	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2982.53
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_43	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1446.75
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_44	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2742.98
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_45	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2827.88
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_46	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2779.61
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_47	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2601.01
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_1	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	1967.8
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_2	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	2567.24
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_3	CC(=O)NC1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	1539.14
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_4	CC(=O)NC1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1576.35
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_5	CC(=O)N(C1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	2081.41
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_6	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	2532.93
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_7	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	1957.21
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_8	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1979.21
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_9	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	2010.85
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_10	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	2547.27
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_11	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2029.48
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_12	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	1974.0
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_13	CC(=O)NC1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2134.65
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_14	CC(=O)N(C1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	1929.25
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_15	CC(=O)NC1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2126.15
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_16	CC(=O)N(C1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2449.73
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_17	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O	standard polar	2025-10-24	2289.48
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_18	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	3161.37
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_19	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	1477.17
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_20	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2755.5
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_21	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	2175.15
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_22	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2212.19
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_23	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2118.25
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_24	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2818.13
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_25	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	3121.4
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_26	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2539.02
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_27	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2676.87
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_28	CC(=O)NC1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1574.96
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_29	CC(=O)N(C1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	988.376
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_30	CC(=O)N(C1C(O)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1533.95
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_31	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1824.7
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_32	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	3422.58
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_33	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2484.17
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_34	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1893.05
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_35	CC(=O)NC1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1872.1
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_36	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1436.21
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_37	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3019.59
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_38	CC(=O)NC1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2438.6
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_39	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2172.21
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_40	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2119.75
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_41	CC(=O)N(C1C(O)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1859.18
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_42	CC(=O)NC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1575.76
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_43	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2617.62
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_44	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1655.36
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_45	CC(=O)N(C1C(O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1179.28
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_46	CC(=O)N(C1C(O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1817.13
Gas Chromatography	N-acetyl-alpha-D-hexosamine 1-phosphate_TMS_47	CC(=O)N(C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1129.58

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	Actinobacteria	1	Human ; Human feces

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

C18055

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

46174044

PDB ID

Not Available

ChEBI ID

81474

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for N-acetyl-alpha-D-hexosamine 1-phosphate (MMDBc0054574)

MOL for #<Metabolite:0x00007f9ab3895170>

3D MOL for #<Metabolite:0x00007f9ab3895170>

3D SDF for #<Metabolite:0x00007f9ab3895170>

3D-SDF for #<Metabolite:0x00007f9ab3895170>

PDB for #<Metabolite:0x00007f9ab3895170>

3D PDB for #<Metabolite:0x00007f9ab3895170>

SMILES for #<Metabolite:0x00007f9ab3895170>

INCHI for #<Metabolite:0x00007f9ab3895170>

Structure for #<Metabolite:0x00007f9ab3895170>

3D Structure for #<Metabolite:0x00007f9ab3895170>