CHEBI:188142 - PA(20:1(11Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PA(20:1(11Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:188142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H77O8P
Net Charge 0
Average Mass 753.055
Monoisotopic Mass 752.53561
InChI InChI=1S/C43H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,41H,3-11,13,15-16,21-23,25,27-40H2,1-2H3,(H2,46,47,48)/b14-12-,19-17-,20-18-,26-24-/t41-/m1/s1
InChIKey GIJUUCBANUDQJH-ISSJACDNSA-N
SMILES P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(20:1(11Z)/20:3(8Z,11Z,14Z)) (CHEBI:188142) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
74877269 ChemSpider
HMDB0115531 HMDB
LMGP10010547 LIPID MAPS
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