MiMeDB: Showing metabocard for 3-Amino-2-oxopropyl phosphate (MMDBc0031906)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:54:24 UTC

Update Date

2022-08-31 18:25:57 UTC

Metabolite ID

MMDBc0031906

Metabolite Identification

Common Name

3-Amino-2-oxopropyl phosphate

Description

A oxoalkyl phosphate having 3-amino-2-oxopropyl as the oxoalkyl group

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-Amino-3-(phosphohydroxy)propan-2-one	ChEBI
3-Amino-2-oxopropyl phosphoric acid	Generator

Molecular Formula

C₃H₈NO₅P

Average Mass

169.073

Monoisotopic Mass

169.01400936

IUPAC Name

(3-amino-2-oxopropoxy)phosphonic acid

Traditional Name

3-amino-2-oxopropyl phosphate

CAS Registry Number

Not Available

SMILES

NCC(=O)COP(O)(O)=O

InChI Identifier

InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)

InChI Key

HIQNVODXENYOFK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphoric acids and derivatives

Sub Class

Phosphate esters

Direct Parent

Monoalkyl phosphates

Alternative Parents

Substituents

Monoalkyl phosphate
Monosaccharide
Alpha-aminoketone
Ketone
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

oxoalkyl phosphate (CHEBI:1449 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	20.1 g/L	ALOGPS
logP	-2	ALOGPS
logP	-2.8	ChemAxon
logS	-0.92	ALOGPS
pKa (Strongest Acidic)	1.21	ChemAxon
pKa (Strongest Basic)	7.77	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	109.85 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	32.13 m³·mol⁻¹	ChemAxon
Polarizability	13.09 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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_1_4) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-8900000000-e0c3aae72ca8ba2c5080	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0fk9-9500000000-ca55a5d6b4d06ccd5723	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udj-9000000000-e578fe94e7351c0eb62a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-016r-6900000000-e9bf34bde67a384f8eb8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-4700ee64e2598cacaba6	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-cf3dae7b83bf4f8ea20b	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	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	513.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	423.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	38.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	221.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (void)	2025-10-23	281.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	316.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	370.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	892.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	782.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	191.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	516.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	206.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	41.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	453.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	810.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	72.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	312.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	578.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	553.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_1	C[Si](C)(C)OP(=O)(O)OCC(=O)CN	standard non polar	2025-10-24	2358.05
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_2	C[Si](C)(C)OC(=COP(=O)(O)O)CN	standard non polar	2025-10-24	1837.51
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_3	C[Si](C)(C)OC(=CN)COP(=O)(O)O	standard non polar	2025-10-24	2164.58
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_4	C[Si](C)(C)NCC(=O)COP(=O)(O)O	standard non polar	2025-10-24	1926.04
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_5	C[Si](C)(C)OP(=O)(OCC(=O)CN)O[Si](C)(C)C	standard non polar	2025-10-24	1873.17
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_6	C[Si](C)(C)OC(=CN)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2330.66
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_7	C[Si](C)(C)OC(=COP(=O)(O)O[Si](C)(C)C)CN	standard non polar	2025-10-24	2140.85
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_8	C[Si](C)(C)NCC(=O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2025.76
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_9	C[Si](C)(C)NCC(=COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1881.42
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_10	C[Si](C)(C)NC=C(COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1875.87
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_11	C[Si](C)(C)N(CC(=O)COP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-24	2114.6
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_12	C[Si](C)(C)OC(=CN)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1664.25
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_13	C[Si](C)(C)OC(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CN	standard non polar	2025-10-24	2004.81
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_14	C[Si](C)(C)NCC(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2665.64
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_15	C[Si](C)(C)NC=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2213.89
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_16	C[Si](C)(C)NCC(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1987.86
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_17	C[Si](C)(C)OP(=O)(O)OCC(=O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1670.41
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_18	C[Si](C)(C)OC(=COP(=O)(O)O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1994.35
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_19	C[Si](C)(C)OC(=CN([Si](C)(C)C)[Si](C)(C)C)COP(=O)(O)O	standard non polar	2025-10-24	1834.6
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_20	C[Si](C)(C)NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1985.26
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_21	C[Si](C)(C)NCC(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1547.93
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_22	C[Si](C)(C)OP(=O)(OCC(=O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1873.41
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_23	C[Si](C)(C)OC(=CN([Si](C)(C)C)[Si](C)(C)C)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1799.67
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_24	C[Si](C)(C)OC(=COP(=O)(O)O[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1927.64
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_25	C[Si](C)(C)OC(=CN([Si](C)(C)C)[Si](C)(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2704.57
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_26	C[Si](C)(C)OC(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2210.51
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_1	C[Si](C)(C)OP(=O)(O)OCC(=O)CN	standard polar	2025-10-24	2164.2
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_2	C[Si](C)(C)OC(=COP(=O)(O)O)CN	standard polar	2025-10-24	1901.36
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_3	C[Si](C)(C)OC(=CN)COP(=O)(O)O	standard polar	2025-10-24	2630.24
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_4	C[Si](C)(C)NCC(=O)COP(=O)(O)O	standard polar	2025-10-24	1975.51
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_5	C[Si](C)(C)OP(=O)(OCC(=O)CN)O[Si](C)(C)C	standard polar	2025-10-24	2038.39
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_6	C[Si](C)(C)OC(=CN)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2614.66
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_7	C[Si](C)(C)OC(=COP(=O)(O)O[Si](C)(C)C)CN	standard polar	2025-10-24	1829.35
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_8	C[Si](C)(C)NCC(=O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2211.78
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_9	C[Si](C)(C)NCC(=COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2430.03
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_10	C[Si](C)(C)NC=C(COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2037.99
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_11	C[Si](C)(C)N(CC(=O)COP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-24	2333.55
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_12	C[Si](C)(C)OC(=CN)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1258.28
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_13	C[Si](C)(C)OC(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CN	standard polar	2025-10-24	2538.23
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_14	C[Si](C)(C)NCC(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1767.17
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_15	C[Si](C)(C)NC=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1867.53
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_16	C[Si](C)(C)NCC(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2338.44
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_17	C[Si](C)(C)OP(=O)(O)OCC(=O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2341.51
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_18	C[Si](C)(C)OC(=COP(=O)(O)O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1892.05
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_19	C[Si](C)(C)OC(=CN([Si](C)(C)C)[Si](C)(C)C)COP(=O)(O)O	standard polar	2025-10-24	2054.61
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_20	C[Si](C)(C)NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1703.53
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_21	C[Si](C)(C)NCC(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1943.96
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_22	C[Si](C)(C)OP(=O)(OCC(=O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2469.78
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_23	C[Si](C)(C)OC(=CN([Si](C)(C)C)[Si](C)(C)C)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2243.35
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_24	C[Si](C)(C)OC(=COP(=O)(O)O[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1711.64
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_25	C[Si](C)(C)OC(=CN([Si](C)(C)C)[Si](C)(C)C)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1990.2
Gas Chromatography	3-Amino-2-oxopropyl phosphate_TMS_26	C[Si](C)(C)OC(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2128.89

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

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	Proteobacteria	6	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; Cattle ; Turkey ; Sheep ; Pig ; Dog ; Lion ; Chicken	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	374	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; Cattle ; Turkey ; Sheep ; Pig ; Dog ; Lion ; Chicken	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	119	Human feces; Human appendix biopsy; Human ; Human saliva; Human supragingival plaque; Human subgingival plaque; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	158	Human feces; Human ; Cattle ; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	23	Human feces; Human ; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	14	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Cyanobacteria	32	Human
Bacteria/Eubacteria	Aquificae	5
Bacteria/Eubacteria	Chlorobi	10
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Spirochaetes	2
Bacteria	nah	1
Bacteria/Eubacteria	Nitrospirae	1

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
Human Feces	Detected but not Quantified									HMDB

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

C11638

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

PDB ID

Not Available

ChEBI ID

1449

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
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 3-Amino-2-oxopropyl phosphate (MMDBc0031906)

MOL for #<Metabolite:0x00007f2e1c57d7e8>

3D MOL for #<Metabolite:0x00007f2e1c57d7e8>

3D SDF for #<Metabolite:0x00007f2e1c57d7e8>

3D-SDF for #<Metabolite:0x00007f2e1c57d7e8>

PDB for #<Metabolite:0x00007f2e1c57d7e8>

3D PDB for #<Metabolite:0x00007f2e1c57d7e8>

SMILES for #<Metabolite:0x00007f2e1c57d7e8>

INCHI for #<Metabolite:0x00007f2e1c57d7e8>

Structure for #<Metabolite:0x00007f2e1c57d7e8>

3D Structure for #<Metabolite:0x00007f2e1c57d7e8>