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CHEBI:170177 - PA(18:4(6Z,9Z,12Z,15Z)/18:0)

ChEBI IDCHEBI:170177
ChEBI NamePA(18:4(6Z,9Z,12Z,15Z)/18:0)
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)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
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/h5,7,11,13,17,19,23,25,37H,3-4,6,8-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H2,42,43,44)/b7-5-,13-11-,19-17-,25-23-/t37-/m1/s1
InChIKeyDCRMSCIXIMHBJM-QBFFAEATSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(18:4(6Z,9Z,12Z,15Z)/18:0) (CHEBI:170177) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] octadecanoate
Manual XrefsDatabases
LMGP10010434LIPID MAPS
HMDB0115032HMDB
74876776ChemSpider