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CHEBI:185601 - PA(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185601
ChEBI NamePA(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H65O8P
Net Charge0
Average Mass704.926
Monoisotopic Mass704.44171
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)O
InChIInChI=1S/C40H65O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,21,23,27,29,38H,3-4,6,8-9,14-15,20,22,24-26,28,30-37H2,1-2H3,(H2,43,44,45)/b7-5-,12-10-,13-11-,18-16-,19-17-,23-21-,29-27-/t38-/m1/s1
InChIKeyHOLFBKHDOFJAJE-GXUINMNTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185601) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP10010299LIPID MAPS
113379026ChemSpider