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CHEBI:170135 - PA(18:0/14:1(9Z))

ChEBI IDCHEBI:170135
ChEBI NamePA(18:0/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H67O8P
Net Charge0
Average Mass646.887
Monoisotopic Mass646.45736
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C35H67O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32H2,1-2H3,(H2,38,39,40)/b12-10-/t33-/m1/s1
InChIKeyRMBKFNCPLWFMRA-ALMVXPMNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(18:0/14:1(9Z)) (CHEBI:170135) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
LMGP10010307LIPID MAPS
74876638ChemSpider
HMDB0114874HMDB