CHEBI:189951 - PA(14:0/18:3(6Z,9Z,12Z))

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ChEBI Name PA(14:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:189951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H63O8P
Net Charge 0
Average Mass 642.855
Monoisotopic Mass 642.42606
InChI InChI=1S/C35H63O8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,20,22,33H,3-10,12,14-15,18-19,21,23-32H2,1-2H3,(H2,38,39,40)/b13-11-,17-16-,22-20-/t33-/m1/s1
InChIKey QLVWNWHVOOSSFP-IVFLSWOASA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome 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(14:0/18:3(6Z,9Z,12Z)) (CHEBI:189951) is a phosphatidic acid (CHEBI:16337)
IUPAC Name
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
74876547 ChemSpider
HMDB0114780 HMDB
LMGP10010097 LIPID MAPS
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