PA(8:0/12:0) (CHEBI:192226)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	PA(8:0/12:0)

ChEBI ID	CHEBI:192226

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H45O8P

Net Charge

Average Mass

480.579

Monoisotopic Mass

480.28521

InChI

InChI=1S/C23H45O8P/c1-3-5-7-9-10-11-12-14-16-18-23(25)31-21(20-30-32(26,27)28)19-29-22(24)17-15-13-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/t21-/m1/s1

InChIKey

WQQVHVPHCZDELC-OAQYLSRUSA-N

SMILES

P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC)(O)(O)=O

Metabolite of Species	Details
Marine plankton environmental sample (NCBI:txid632957)	Found in endometabolome (MTBLS:000125). See: MetaboLights Study

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	PA(8:0/12:0) (CHEBI:192226) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)

IUPAC Name

[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate