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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:56:36 UTC

Update Date

2021-09-26 23:05:43 UTC

HMDB ID

HMDB0252849

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Glycerophosphoric acid

Description

Glycerol 1-monophosphate, also known as 1-glycerophosphoric acid or alpha-phosphoglycerol, belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Based on a literature review a small amount of articles have been published on Glycerol 1-monophosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycerophosphoric acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycerophosphoric acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1,2,3-Propanetriol, 1-(dihydrogen phosphate)	ChEBI
1-Glycerophosphate	ChEBI
1-Glycerophosphoric acid	ChEBI
1-Phosphoglycerol	ChEBI
2,3-Dihydroxypropyl dihydrogen phosphate	ChEBI
2,3-Hydroxy-1-propyl dihydrogen phosphate	ChEBI
3-Glycerophosphate	ChEBI
alpha-Glycerophosphoric acid	ChEBI
alpha-Phosphoglycerol	ChEBI
D,L-alpha-Glycerol-phosphate	ChEBI
DL-Glycerol 1-phosphate	ChEBI
DL-Glycerol 3-phosphate	ChEBI
DL-Glyceryl 1-phosphate	ChEBI
Glycerol alpha-phosphate	ChEBI
PG	ChEBI
rac-Glycerol 1-phosphate	ChEBI
Glycerol 1-phosphate	Kegg
Glycerol-3-phosphate	Kegg
1,2,3-Propanetriol, 1-(dihydrogen phosphoric acid)	Generator
2,3-Dihydroxypropyl dihydrogen phosphoric acid	Generator
2,3-Hydroxy-1-propyl dihydrogen phosphoric acid	Generator
3-Glycerophosphoric acid	Generator
a-Glycerophosphate	Generator
a-Glycerophosphoric acid	Generator
alpha-Glycerophosphate	Generator
Α-glycerophosphate	Generator
Α-glycerophosphoric acid	Generator
a-Phosphoglycerol	Generator
Α-phosphoglycerol	Generator
D,L-a-Glycerol-phosphate	Generator
D,L-a-Glycerol-phosphoric acid	Generator
D,L-alpha-Glycerol-phosphoric acid	Generator
D,L-Α-glycerol-phosphate	Generator
D,L-Α-glycerol-phosphoric acid	Generator
DL-Glycerol 1-phosphoric acid	Generator
DL-Glycerol 3-phosphoric acid	Generator
DL-Glyceryl 1-phosphoric acid	Generator
Glycerol a-phosphate	Generator
Glycerol a-phosphoric acid	Generator
Glycerol alpha-phosphoric acid	Generator
Glycerol α-phosphate	Generator
Glycerol α-phosphoric acid	Generator
rac-Glycerol 1-phosphoric acid	Generator
Glycerol 1-phosphoric acid	Generator
Glycerol-3-phosphoric acid	Generator
Glycerol 1-monophosphoric acid	Generator
alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeled	MeSH
alpha-Glycerophosphoric acid, fe(+3) salt (3:2)	MeSH
alpha-Glycerophosphoric acid, disodium salt	MeSH
Disodium glycerophosphate	MeSH
Glycerol 3-phosphate	MeSH
alpha-Glycerophosphoric acid, fe salt	MeSH
alpha-Glycerophosphoric acid, monocalcium salt (S)-isomer	MeSH
alpha-Glycerophosphoric acid, monomagnesium salt	MeSH
alpha-Glycerophosphoric acid, sodium salt	MeSH
alpha-Glycerophosphoric acid, (R)-isomer	MeSH
alpha-Glycerophosphoric acid, (S)-isomer	MeSH
alpha-Glycerophosphoric acid, disodium salt hexahydrate(+-)-isomer	MeSH
alpha-Glycerophosphoric acid, monocalcium salt	MeSH
Sodium glycerophosphate	MeSH
alpha-Glycerophosphoric acid, (DL)-isomer	MeSH
alpha-Glycerophosphoric acid, 1,2,3-propanetriol-2-(18)O,3-(dihydrogen phosphate)-labeled	MeSH
alpha-Glycerophosphoric acid, calcium salt	MeSH
alpha-Glycerophosphoric acid, disodium salt (+-)-isomer	MeSH

Chemical Formula

C₃H₉O₆P

Average Molecular Weight

172.0737

Monoisotopic Molecular Weight

172.013674532

IUPAC Name

(2,3-dihydroxypropoxy)phosphonic acid

Traditional Name

α-glycerophosphate

CAS Registry Number

Not Available

SMILES

OCC(O)COP(O)(O)=O

InChI Identifier

InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

InChI Key

AWUCVROLDVIAJX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphates

Direct Parent

Glycerophosphates

Alternative Parents

Substituents

Sn-glycerol-3-phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
1,2-diol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glycerol monophosphate (CHEBI:14336 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

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
logP	-1.8	ALOGPS
logP	-2	ChemAxon
logS	-0.75	ALOGPS
pKa (Strongest Acidic)	1.51	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	107.22 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	31.39 m³·mol⁻¹	ChemAxon
Polarizability	13.45 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
DeepCCS	[M+H]+	126.121	30932474
DeepCCS	[M-H]-	123.26	30932474
DeepCCS	[M-2H]-	160.073	30932474
DeepCCS	[M+Na]+	134.777	30932474
AllCCS	[M+H]+	138.4	32859911
AllCCS	[M+H-H2O]+	134.5	32859911
AllCCS	[M+NH4]+	142.0	32859911
AllCCS	[M+Na]+	143.0	32859911
AllCCS	[M-H]-	130.3	32859911
AllCCS	[M+Na-2H]-	132.6	32859911
AllCCS	[M+HCOO]-	135.2	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycerophosphoric acid,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OCC(O)CO	1667.5	Semi standard non polar	33892256
Glycerophosphoric acid,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OCC(O)CO	1536.4	Standard non polar	33892256
Glycerophosphoric acid,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OCC(O)CO	2527.5	Standard polar	33892256
Glycerophosphoric acid,2TMS,isomer #3	C[Si](C)(C)OC(CO)COP(=O)(O)O[Si](C)(C)C	1717.7	Semi standard non polar	33892256
Glycerophosphoric acid,2TMS,isomer #3	C[Si](C)(C)OC(CO)COP(=O)(O)O[Si](C)(C)C	1648.5	Standard non polar	33892256
Glycerophosphoric acid,2TMS,isomer #3	C[Si](C)(C)OC(CO)COP(=O)(O)O[Si](C)(C)C	2158.1	Standard polar	33892256
Glycerophosphoric acid,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OCC(O)CO)O[Si](C)(C)C	1698.7	Semi standard non polar	33892256
Glycerophosphoric acid,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OCC(O)CO)O[Si](C)(C)C	1647.7	Standard non polar	33892256
Glycerophosphoric acid,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OCC(O)CO)O[Si](C)(C)C	1994.5	Standard polar	33892256
Glycerophosphoric acid,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	1747.8	Semi standard non polar	33892256
Glycerophosphoric acid,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	1698.7	Standard non polar	33892256
Glycerophosphoric acid,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	1997.3	Standard polar	33892256
Glycerophosphoric acid,3TMS,isomer #2	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1733.4	Semi standard non polar	33892256
Glycerophosphoric acid,3TMS,isomer #2	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1736.4	Standard non polar	33892256
Glycerophosphoric acid,3TMS,isomer #2	C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1820.6	Standard polar	33892256
Glycerophosphoric acid,3TMS,isomer #3	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1732.6	Semi standard non polar	33892256
Glycerophosphoric acid,3TMS,isomer #3	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1718.1	Standard non polar	33892256
Glycerophosphoric acid,3TMS,isomer #3	C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	1856.3	Standard polar	33892256
Glycerophosphoric acid,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	1759.9	Semi standard non polar	33892256
Glycerophosphoric acid,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	1751.1	Standard non polar	33892256
Glycerophosphoric acid,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	1786.7	Standard polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2357.7	Semi standard non polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2314.5	Standard non polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2310.5	Standard polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2353.8	Semi standard non polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2312.9	Standard non polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2177.7	Standard polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2336.3	Semi standard non polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2269.4	Standard non polar	33892256
Glycerophosphoric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2194.5	Standard polar	33892256
Glycerophosphoric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(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	2576.6	Semi standard non polar	33892256
Glycerophosphoric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(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	2440.2	Standard non polar	33892256
Glycerophosphoric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(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	2225.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Glycerophosphoric acid GC-MS (4 TMS)	splash10-0zgj-1976000000-019de1fa6314b95ef7fe	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ot-9300000000-2e47f2340b832aac7776	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoric acid GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 10V, Positive-QTOF	splash10-00di-5900000000-64043ee94d742cc4c8a4	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 20V, Positive-QTOF	splash10-0a6r-9400000000-f030544d156b4b0111a5	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 40V, Positive-QTOF	splash10-0a4i-9000000000-7d3c25cddbefbb1f8b87	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 10V, Negative-QTOF	splash10-00fr-6900000000-0018771a83ca8722e148	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 20V, Negative-QTOF	splash10-004i-9100000000-cd376066ff1f1f928911	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 40V, Negative-QTOF	splash10-004i-9000000000-a6ed4a0320c8229c8621	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 10V, Positive-QTOF	splash10-0a4j-9100000000-8e93ff65090b7595390e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 20V, Positive-QTOF	splash10-052b-9000000000-bb65d8a35d3b07dc2406	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 40V, Positive-QTOF	splash10-001i-9000000000-5825d6047351fd0e36d0	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 10V, Negative-QTOF	splash10-004i-9300000000-3e2a1bc9664efc0c8374	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoric acid 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	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021800

KNApSAcK ID

Not Available

Chemspider ID

734

KEGG Compound ID

C03189

BioCyc ID

Glycerol-1-phosphate

BiGG ID

Not Available

Wikipedia Link

Glycerol_1-phosphate

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

14336

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Glycerophosphoric acid (HMDB0252849)

MOL for HMDB0252849 (Glycerophosphoric acid)

3D MOL for HMDB0252849 (Glycerophosphoric acid)

3D SDF for HMDB0252849 (Glycerophosphoric acid)

3D-SDF for HMDB0252849 (Glycerophosphoric acid)

PDB for HMDB0252849 (Glycerophosphoric acid)

3D PDB for HMDB0252849 (Glycerophosphoric acid)

SMILES for HMDB0252849 (Glycerophosphoric acid)

INCHI for HMDB0252849 (Glycerophosphoric acid)

Structure for HMDB0252849 (Glycerophosphoric acid)

3D Structure for HMDB0252849 (Glycerophosphoric acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra