EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196714 - PA(17:1(9Z)/16:0)

ChEBI IDCHEBI:196714
ChEBI NamePA(17:1(9Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H69O8P
Net Charge0
Average Mass660.914
Monoisotopic Mass660.47301
SMILESCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C36H69O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h15,17,34H,3-14,16,18-33H2,1-2H3,(H2,39,40,41)/b17-15-/t34-/m1/s1
InChIKeyJGMXLNNUNVDCKU-SGBZAWJXSA-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(17:1(9Z)/16:0) (CHEBI:196714) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] (Z)-heptadec-9-enoate
Manual XrefsDatabases
113378979ChemSpider
LMGP10010252LIPID MAPS