EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178735 - PA(15:1(9Z)/21:0)

ChEBI IDCHEBI:178735
ChEBI NamePA(15:1(9Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O8P
Net Charge0
Average Mass702.995
Monoisotopic Mass702.51996
SMILESCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h12,14,37H,3-11,13,15-36H2,1-2H3,(H2,42,43,44)/b14-12-/t37-/m1/s1
InChIKeyJIUGFTVYDGGHIZ-SVKAEJSDSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(15:1(9Z)/21:0) (CHEBI:178735) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP10010184LIPID MAPS