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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2013-05-09 21:01:49 UTC

Update Date

2022-03-07 03:17:40 UTC

HMDB ID

HMDB0060180

Secondary Accession Numbers

HMDB60180

Metabolite Identification

Common Name

D-Glycerate 3-phosphate

Description

(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate, also known as 3-phospho-(R)-glycerate or D-glycerate 3-phosphate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate is a drug (2R)-2-hydroxy-3-(phosphonatooxy)propanoate has been detected, but not quantified, in several different foods, such as poppies, small-leaf lindens, lupines, pomegranates, and kombus. These are compounds containing a saccharide unit which bears a carboxylic acid group.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-Phospho-(R)-glycerate	ChEBI
3-Phospho-D-glycerate	ChEBI
3-Phosphoglycerate	ChEBI
3-Phospho-(R)-glyceric acid	Generator
3-Phospho-D-glyceric acid	Generator
3-Phosphoglyceric acid	Generator
D-Glyceric acid 3-phosphoric acid	Generator
(2R)-2-Hydroxy-3-(phosphonatooxy)propanoic acid	HMDB
(2R)-2-Hydroxy-3-(phosphonooxy)propanoic acid	HMDB
2-Hydroxy-3-(phosphonatooxy)propanoate	HMDB
D-(-)-3-Phosphoglyceric acid	HMDB
D-3-Phosphoglyceric acid	HMDB
D-Glyceric acid 3-phosphate	HMDB
Glycerate 3-phosphate	MeSH
3-Phosphoglycerate, trisodium salt	MeSH
3-Phosphoglycerate, monosodium salt	MeSH
3-Phosphoglycerate, (R)-isomer	MeSH
D-Glycerate 3-phosphate	ChEBI

Chemical Formula

C₃H₇O₇P

Average Molecular Weight

186.0572

Monoisotopic Molecular Weight

185.99293909

IUPAC Name

(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid

Traditional Name

D-glycerate 3-phosphate

CAS Registry Number

3443-58-1

SMILES

O[C@H](COP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

InChI Key

OSJPPGNTCRNQQC-UWTATZPHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Glyceric_acid
Monoalkyl phosphate
Alpha-hydroxy acid
Hydroxy acid
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Alcohol
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

3-phosphoglyceric acid (CHEBI:17794 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Saliva (HMDB: HMDB0060180)

Source

Exogenous

Exogenous (HMDB: HMDB0060180)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	21 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-1.6	ChemAxon
logS	-0.95	ALOGPS
pKa (Strongest Acidic)	1.3	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	124.29 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	31.26 m³·mol⁻¹	ChemAxon
Polarizability	13.54 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	140.073	31661259
DarkChem	[M-H]-	135.631	31661259
DeepCCS	[M+H]+	125.911	30932474
DeepCCS	[M-H]-	122.099	30932474
DeepCCS	[M-2H]-	159.669	30932474
DeepCCS	[M+Na]+	135.148	30932474
AllCCS	[M+H]+	140.7	32859911
AllCCS	[M+H-H2O]+	136.9	32859911
AllCCS	[M+NH4]+	144.2	32859911
AllCCS	[M+Na]+	145.2	32859911
AllCCS	[M-H]-	130.3	32859911
AllCCS	[M+Na-2H]-	132.2	32859911
AllCCS	[M+HCOO]-	134.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Glycerate 3-phosphate	O[C@H](COP(O)(O)=O)C(O)=O	2685.6	Standard polar	33892256
D-Glycerate 3-phosphate	O[C@H](COP(O)(O)=O)C(O)=O	1423.5	Standard non polar	33892256
D-Glycerate 3-phosphate	O[C@H](COP(O)(O)=O)C(O)=O	1684.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Glycerate 3-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H](COP(=O)(O)O)C(=O)O	1678.8	Semi standard non polar	33892256
D-Glycerate 3-phosphate,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O)O	1642.5	Semi standard non polar	33892256
D-Glycerate 3-phosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OC[C@@H](O)C(=O)O	1704.6	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	1680.6	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TMS,isomer #2	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O	1742.6	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	1695.0	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H](O)C(=O)O)O[Si](C)(C)C	1755.2	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	1754.5	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	1751.2	Standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2147.0	Standard polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	1794.7	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	1765.0	Standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	1996.4	Standard polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1751.4	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1742.6	Standard non polar	33892256
D-Glycerate 3-phosphate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1949.6	Standard polar	33892256
D-Glycerate 3-phosphate,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	1824.5	Semi standard non polar	33892256
D-Glycerate 3-phosphate,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	1817.9	Standard non polar	33892256
D-Glycerate 3-phosphate,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	1906.3	Standard polar	33892256
D-Glycerate 3-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)C(=O)O	1911.5	Semi standard non polar	33892256
D-Glycerate 3-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O)O	1894.6	Semi standard non polar	33892256
D-Glycerate 3-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)C(=O)O	1950.5	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2100.7	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	2144.3	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2115.5	Semi standard non polar	33892256
D-Glycerate 3-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)C(=O)O)O[Si](C)(C)C(C)(C)C	2175.8	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2358.8	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2390.3	Standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2448.6	Standard polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2387.1	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2330.9	Standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2333.0	Standard polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2365.0	Semi standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2357.4	Standard non polar	33892256
D-Glycerate 3-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2301.3	Standard polar	33892256
D-Glycerate 3-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2603.4	Semi standard non polar	33892256
D-Glycerate 3-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2515.6	Standard non polar	33892256
D-Glycerate 3-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2342.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-Glycerate 3-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9200000000-2d6f0050126bbc72d771	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Glycerate 3-phosphate GC-MS (2 TMS) - 70eV, Positive	splash10-03dj-9150000000-ebe296689ddfcee96d61	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Glycerate 3-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Glycerate 3-phosphate LC-ESI-ITFT , negative-QTOF	splash10-00kb-9500000000-3a504199c8820dbd44a1	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 10V, Positive-QTOF	splash10-00kr-2900000000-97a3da464b710b2684a9	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 20V, Positive-QTOF	splash10-00kv-8900000000-f897e638356fb29020cb	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 40V, Positive-QTOF	splash10-0006-9100000000-655876160dc523273c42	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 10V, Negative-QTOF	splash10-003r-5900000000-b5d234c9dd7df3920489	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 20V, Negative-QTOF	splash10-004i-9100000000-6b06c4977ed320e922a2	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-69afa1a98654e3a171ea	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 10V, Positive-QTOF	splash10-0002-9000000000-e64736ac1f9d1f7dd9ef	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 20V, Positive-QTOF	splash10-0002-9000000000-b24e251f42140de98ced	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 40V, Positive-QTOF	splash10-001i-9000000000-7c1557a43a172be0e63d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 10V, Negative-QTOF	splash10-004j-9000000000-0b41dc890757740bbb51	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glycerate 3-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Saliva

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Saliva	Detected and Quantified	1.26 +/- 1.21 uM	Adult (>18 years old)	Male	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	1.54 +/- 1.04 uM	Adult (>18 years old)	Not Specified	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	1.66 +/- 2.97 uM	Adult (>18 years old)	Not Specified	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	1.69 +/- 0.706 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB04510

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

3-Phosphoglyceric_acid

METLIN ID

Not Available

PubChem Compound

439183

PDB ID

Not Available

ChEBI ID

17794

Food Biomarker Ontology

Not Available

VMH ID

3PG

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for D-Glycerate 3-phosphate (HMDB0060180)

MOL for HMDB0060180 (D-Glycerate 3-phosphate)

3D MOL for HMDB0060180 (D-Glycerate 3-phosphate)

3D SDF for HMDB0060180 (D-Glycerate 3-phosphate)

3D-SDF for HMDB0060180 (D-Glycerate 3-phosphate)

PDB for HMDB0060180 (D-Glycerate 3-phosphate)

3D PDB for HMDB0060180 (D-Glycerate 3-phosphate)

SMILES for HMDB0060180 (D-Glycerate 3-phosphate)

INCHI for HMDB0060180 (D-Glycerate 3-phosphate)

Structure for HMDB0060180 (D-Glycerate 3-phosphate)

3D Structure for HMDB0060180 (D-Glycerate 3-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra