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

ChEBI IDCHEBI:189951
ChEBI NamePA(14:0/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H63O8P
Net Charge0
Average Mass642.855
Monoisotopic Mass642.42606
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=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
InChIKeyQLVWNWHVOOSSFP-IVFLSWOASA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0114780HMDB
LMGP10010097LIPID MAPS
74876547ChemSpider