Showing Compound D-Glyceraldehyde 3-phosphate (FDB001619)

Record Information

Version

1.0

Creation date

2010-04-08 22:05:02 UTC

Update date

2019-11-26 02:56:37 UTC

Primary ID

FDB001619

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

D-Glyceraldehyde 3-phosphate

Description

Glyceraldehyde 3-phosphate (G3P) or triose phosphate is an aldotriose, an important metabolic intermediate in both glycolysis and gluconeogenesis, and in tryptophan biosynthesis. G3P is formed from Fructose-1,6-bisphosphate, Dihydroxyacetone phosphate (DHAP),and 1,3-bisphosphoglycerate, (1,3BPG), and this is how glycerol (as DHAP) enters the glycolytic and gluconeogenesis pathways. D-Glyceraldehyde 3-phosphate is found in many foods, some of which are quince, chinese cabbage, carob, and peach.

CAS Number

142-10-9

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
(2R)-2-Hydroxy-3-(phosphonooxy)-propanal	ChEBI
Glyceraldehyde 3-phosphoric acid	Generator
Glyceraldehyde 3-phosphate	ChEBI
D-Glyceraldehyde 3-phosphoric acid	Generator
Glyceraldehyde-3-phosphoric acid	Generator
(2-Hydroxy-3-oxopropoxy)phosphonic acid	HMDB
(2R)-2-Hydroxy-3-(phosphonooxy)propanal	HMDB
(R)-Glyceraldehyde 3-phosphate	HMDB
2-Hydroxy-3-(phosphonooxy)propanal	HMDB
3-Phosphoglyceraldehyde	HMDB
3-Phosphoroglyceric aldehyde	HMDB
D-Glyceraldehyde 3-phosphate	HMDB
Phosphoglyceraldehyde	HMDB
Triose phosphate	HMDB
(2-hydroxy-3-oxopropyl) dihydrogen phosphate	biospider
(2R)-2-hydroxy-3-(phosphonooxy)-propanal	biospider
(R)-2-Hydroxy-3-(phosphonooxy)-propanal	biospider
2-hydroxy-3-(phosphonooxy)-Propanal	biospider
2-hydroxy-3-(phosphonooxy)propanal	biospider
2-hydroxy-3-oxopropyl dihydrogen phosphate	biospider
D-glyceraldehdye-3-phosphate	biospider
D-Glyceraldehyde 3-phosphic acid	biospider
D-glyceraldehyde-3-P	biospider
D-glyceraldehyde-3-phosphate	biospider
DL-Glyceraldehyde 3-phosphate	biospider
DL-GLYCERALDEHYDE-3-PHOSPHATE	biospider
GAP	biospider
gliceraldehido-3-fosfato	biospider
glyceraldehyde 3-(dihydrogen phosphate)	biospider
glyceraldehyde-3-P	biospider
Glyceraldehyde-3-phosphate	biospider
Glyceraldehyde-p	biospider
Glyceraldehyde-phosphate	biospider
Glycerinaldehyd-3-phosphat	biospider
Propanal, 2-hydroxy-3-(phosphonooxy)-	biospider

Predicted Properties

Property	Value	Source
Water Solubility	20.5 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-1.8	ChemAxon
logS	-0.92	ALOGPS
pKa (Strongest Acidic)	1.4	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	30.33 m³·mol⁻¹	ChemAxon
Polarizability	12.54 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

Chemical Formula

C3H7O6P

IUPAC name

[(2R)-2-hydroxy-3-oxopropoxy]phosphonic acid

InChI Identifier

InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1

InChI Key

LXJXRIRHZLFYRP-VKHMYHEASA-N

Isomeric SMILES

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

Average Molecular Weight

170.0578

Monoisotopic Molecular Weight

169.998024468

Classification

Description

Belongs to the class of organic compounds known as glyceraldehyde-3-phosphates. Glyceraldehyde-3-phosphates are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glyceraldehyde-3-phosphates

Alternative Parents

Substituents

Glyceraldehyde-3-phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Alpha-hydroxyaldehyde
Secondary alcohol
Organic oxide
Hydrocarbon derivative
Carbonyl group
Aldehyde
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glyceraldehyde 3-phosphate (CHEBI:29052 )

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
GC-MS	D-Glyceraldehyde 3-phosphate, 1 MEOX; 3 TMS, GC-MS Spectrum	splash10-03gs-2974000000-49a55c276e0ad196e48b	Spectrum
GC-MS	D-Glyceraldehyde 3-phosphate, 1 MEOX; 3 TMS, GC-MS Spectrum	splash10-03dj-1954000000-b38d318554d6563bd853	Spectrum
Predicted GC-MS	D-Glyceraldehyde 3-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-002b-9000000000-6e7cef3b048204ad747c	2020-05-06	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-4900000000-c2523768fc807c3c2be4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9300000000-f776376958b2b72f623a	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-e259d091dff097ba4725	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-016r-6900000000-c0ca9a77a4d78aab0dfe	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-0bed37562fdba4181b72	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-1a41399517f85b66b213	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9300000000-9e36d6cfbaaaeb3666e0	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-adb6a2e060d3e5aaa5e3	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-42c3184a806787a77c97	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-dcb603e2d6e9e719c6b3	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-25	View Spectrum