PA(10:0/8:0) (CHEBI:191611)

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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(10:0/8:0)

ChEBI ID	CHEBI:191611

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H41O8P

Net Charge

Average Mass

452.525

Monoisotopic Mass

452.25391

InChI

InChI=1S/C21H41O8P/c1-3-5-7-9-10-12-13-15-20(22)27-17-19(18-28-30(24,25)26)29-21(23)16-14-11-8-6-4-2/h19H,3-18H2,1-2H3,(H2,24,25,26)/t19-/m1/s1

InChIKey

KGGUWSAEMWMREA-LJQANCHMSA-N

SMILES

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

Metabolite of Species	Details
Solanum tuberosum (NCBI:txid4113)	Found in leaf (BTO:0000713). 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(10:0/8:0) (CHEBI:191611) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)

IUPAC Name

[(2R)-2-octanoyloxy-3-phosphonooxypropyl] decanoate