EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178746 - PA(22:1(11Z)/14:0)

ChEBI IDCHEBI:178746
ChEBI NamePA(22:1(11Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O8P
Net Charge0
Average Mass702.995
Monoisotopic Mass702.51996
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-23-14-12-10-8-6-4-2/h18-19,37H,3-17,20-36H2,1-2H3,(H2,42,43,44)/b19-18-/t37-/m1/s1
InChIKeyMIPHZEWYUUSZAP-OUJJLNDXSA-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(22:1(11Z)/14:0) (CHEBI:178746) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010726LIPID MAPS