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CHEBI:230899 - PG(20:2(11Z,14Z)/20:3(6,8,11)-OH(5))

ChEBI IDCHEBI:230899
ChEBI NamePG(20:2(11Z,14Z)/20:3(6,8,11)-OH(5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81O11P
Net Charge0
Average Mass841.117
Monoisotopic Mass840.55165
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC(O)/C=C/C=C/C/C=C/CCCCCCCC
InChIInChI=1S/C46H81O11P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-45(50)54-40-44(41-56-58(52,53)55-39-43(49)38-47)57-46(51)37-33-35-42(48)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,27,29,31,34,42-44,47-49H,3-10,12,14-16,19-20,22,24-26,28,30,32-33,35-41H2,1-2H3,(H,52,53)/b13-11-,18-17-,23-21+,29-27+,34-31+/t42?,43-,44+/m0/s1
InChIKeyONCBPPZMKNATPV-AUFXUXSXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(20:2(11Z,14Z)/20:3(6,8,11)-OH(5)) (CHEBI:230899) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
Manual XrefsDatabases
117224514ChemSpider
HMDB0269693HMDB