CHEBI:196706 - PA(13:0/20:1(11Z))

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ChEBI Name PA(13:0/20:1(11Z))
ChEBI ID CHEBI:196706
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H69O8P
Net Charge 0
Average Mass 660.914
Monoisotopic Mass 660.47301
InChI InChI=1S/C36H69O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-14-12-10-8-6-4-2/h16-17,34H,3-15,18-33H2,1-2H3,(H2,39,40,41)/b17-16-/t34-/m1/s1
InChIKey GARGCYNEKYCJGL-ALNMSFLZSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(13:0/20:1(11Z)) (CHEBI:196706) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (Z)-icos-11-enoate
Manual Xrefs Databases
113378872 ChemSpider
LMGP10010081 LIPID MAPS
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