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CHEBI:170225 - PA(22:0/14:1(9Z))

ChEBI IDCHEBI:170225
ChEBI NamePA(22:0/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O8P
Net Charge0
Average Mass702.995
Monoisotopic Mass702.51996
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
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/h10,12,37H,3-9,11,13-36H2,1-2H3,(H2,42,43,44)/b12-10-/t37-/m1/s1
InChIKeyNXGJGXCLVPUPSE-CAPKZEEOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(22:0/14:1(9Z)) (CHEBI:170225) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] docosanoate
Manual XrefsDatabases
74876981ChemSpider
LMGP10010701LIPID MAPS
HMDB0115241HMDB