EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186278 - PA(18:3(9Z,12Z,15Z)/15:1(9Z))

ChEBI IDCHEBI:186278
ChEBI NamePA(18:3(9Z,12Z,15Z)/15:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63O8P
Net Charge0
Average Mass654.866
Monoisotopic Mass654.42606
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCC
InChIInChI=1S/C36H63O8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,34H,3-4,6,8-10,15-16,19-33H2,1-2H3,(H2,39,40,41)/b7-5-,13-11-,14-12-,18-17-/t34-/m1/s1
InChIKeyJJTAAOVLMNSQRB-INFSDCEPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(18:3(9Z,12Z,15Z)/15:1(9Z)) (CHEBI:186278) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
LMGP10010400LIPID MAPS
113379073ChemSpider