13P

1,3-DIHYDROXYACETONEPHOSPHATE

Created:	1999-07-08
Last modified:	2024-09-27

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41 entries where 13P is found as a standalone ligand16 entries where 13P is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

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Chemical Component Summary
Name	1,3-DIHYDROXYACETONEPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(3-hydroxy-2-oxo-propyl) dihydrogen phosphate
Formula	C₃ H₇ O₆ P
Molecular Weight	170.058
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(=O)CO
SMILES	CACTVS	3.341	OCC(=O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	OCC(=O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
InChIKey	InChI	1.03	GNGACRATGGDKBX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04326
Name	Dihydroxyacetone phosphate
Groups	investigational
Description	Dihydroxyacetone phosphate is an important intermediate in lipid biosynthesis and in glycolysis. Dihydroxyacetone phosphate has been investigated for the treatment of Lymphoma, Large-Cell, Diffuse.
Synonyms	1-Hydroxy-3-(phosphonooxy)acetone Glycerone monophosphate Glycerone phosphate Dihydroxyacetone phosphate DHAP 1,3-Dihydroxy-2-propanone monodihydrogen phosphate 1,3-Dihydroxy-2-propanone phosphate 1,3-Dihydroxyacetone 1-phosphate Dihydroxyacetone monophosphate 3-hydroxy-2-oxopropyl phosphate 1-hydroxy-3-(phosphonooxy)-2-Propanone
Categories	Carbohydrates Sugar Phosphates
CAS number	57-04-5

Drug Targets

Name	Target Sequence	Pharmacological Action
Fructose-bisphosphate aldolase A	MPYQYPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTE...	unknown
Triosephosphate isomerase	MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNW...	unknown
Fructose-bisphosphate aldolase B	MAHRFPALTQEQKKELSEIAQSIVANGKGILAADESVGTMGNRLQRIKVE...	unknown
L-fuculose phosphate aldolase	MERNKLARQIIDTCLEMTRLGLNQGTAGNVSVRYQDGMLITPTGIPYEKL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682