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CHEBI:170171 - PA(18:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:170171
ChEBI NamePA(18:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H69O8P
Net Charge0
Average Mass696.947
Monoisotopic Mass696.47301
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,37H,3-5,7,9-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H2,42,43,44)/b8-6-,14-12-,20-18-,26-24-/t37-/m1/s1
InChIKeyJQZQZNKKBCUAHJ-QKAWOXPJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(18:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:170171) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] octadecanoate
Manual XrefsDatabases
HMDB0114880HMDB
LMGP10010886LIPID MAPS
74876642ChemSpider