CHEBI:196840 - PA(21:0/20:1(11Z))

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ChEBI Name PA(21:0/20:1(11Z))
ChEBI ID CHEBI:196840
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H85O8P
Net Charge 0
Average Mass 773.130
Monoisotopic Mass 772.59821
InChI InChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(45)50-40-42(41-51-53(47,48)49)52-44(46)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,42H,3-17,19,21-41H2,1-2H3,(H2,47,48,49)/b20-18-/t42-/m1/s1
InChIKey VAWVNLILBNWIQR-PEBSJOBXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(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(21:0/20:1(11Z)) (CHEBI:196840) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropyl] henicosanoate
Manual Xrefs Databases
113379209 ChemSpider
LMGP10010692 LIPID MAPS
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