1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075)

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ChEBI Name	1,2-dioctanoyl-sn-glycero-3-phosphate

ChEBI ID	CHEBI:79075

ChEBI ASCII Name	1,2-dioctanoyl-sn-glycero-3-phosphate

Definition	A 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44889

Supplier Information

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Formula

C19H37O8P

Net Charge

Average Mass

424.46600

Monoisotopic Mass

424.22261

InChI

InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1

InChIKey

XYSBQYUENLDGMI-QGZVFWFLSA-N

SMILES

CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via phosphatidic acid )

ChEBI Ontology
Outgoing	1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089) 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is a octanoate ester (CHEBI:87657) 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229)

Incoming	1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075)

IUPAC Name

(2R)-3-(phosphonooxy)propane-1,2-diyl dioctanoate

Synonyms	Sources
(2R)-2,3-bis(octanoyloxy)propyl hydrogen phosphate	PDBeChem
1,2-dicapryloyl-sn-glycero-3-phosphate	ChEBI
1,2-Dioctanoyl-sn-glycero-3-phosphatidic acid	LIPID MAPS
Dioctanoylphosphatidic acid	ChemIDplus
PA(16:0)	ChEBI
PA(8:0/8:0)	LIPID MAPS

Citation	Type	Source
10428791	PubMed citation	Europe PMC

Last Modified

10 March 2016