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CHEBI:186161 - PA(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:186161
ChEBI NamePA(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H69O8P
Net Charge0
Average Mass720.969
Monoisotopic Mass720.47301
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChIInChI=1S/C41H69O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,39H,3-10,15-16,20,23,25-27,29,31-38H2,1-2H3,(H2,44,45,46)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m1/s1
InChIKeyMRRHUGIHSOIWQA-HPWXRCFJSA-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(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186161) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
74876708ChemSpider
LMGP10010875LIPID MAPS
HMDB0114961HMDB