EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169618 - PA(18:3(9Z,12Z,15Z)/20:0)

ChEBI IDCHEBI:169618
ChEBI NamePA(18:3(9Z,12Z,15Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75O8P
Net Charge0
Average Mass727.017
Monoisotopic Mass726.51996
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H75O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,39H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3,(H2,44,45,46)/b8-6-,14-12-,21-18-/t39-/m1/s1
InChIKeyPCHVHQQZFGFEOP-PSCPWYGTSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)/20:0) (CHEBI:169618) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxypropan-2-yl] icosanoate
Manual XrefsDatabases
74876756ChemSpider
HMDB0115012HMDB
LMGP10010411LIPID MAPS