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CHEBI:170185 - PA(22:2(13Z,16Z)/14:1(9Z))

ChEBI IDCHEBI:170185
ChEBI NamePA(22:2(13Z,16Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H71O8P
Net Charge0
Average Mass698.963
Monoisotopic Mass698.48866
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChIInChI=1S/C39H71O8P/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/h10-13,16-17,37H,3-9,14-15,18-36H2,1-2H3,(H2,42,43,44)/b12-10-,13-11-,17-16-/t37-/m1/s1
InChIKeyZRLSMGWKJCNYDM-RGWCGLOOSA-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(22:2(13Z,16Z)/14:1(9Z)) (CHEBI:170185) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0115297HMDB
74877037ChemSpider
LMGP10010758LIPID MAPS