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CHEBI:230931 - PI(18:3(6Z,9Z,12Z)/PGE2)

ChEBI IDCHEBI:230931
ChEBI NamePI(18:3(6Z,9Z,12Z)/PGE2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H77O16P
Net Charge0
Average Mass929.091
Monoisotopic Mass928.49492
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C/C=C\CCCC(=O)O1)C(=O)C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@H](O)[C@H]2O
InChIInChI=1S/C47H77O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-40(51)60-32-35-33-61-64(58,59)63-47-45(56)43(54)37(30-29-34(48)25-21-6-4-2)39(50)31-38(49)36(42(53)44(55)46(47)57)26-22-19-20-24-28-41(52)62-35/h9-10,12-13,15-16,19,22,29-30,34-37,39,42-48,50,53-57H,3-8,11,14,17-18,20-21,23-28,31-33H2,1-2H3,(H,58,59)/b10-9-,13-12-,16-15-,22-19-,30-29+/t34-,35+,36-,37-,39+,42+,43+,44-,45+,46+,47+/m0/s1
InChIKeyXBVMAPFCARIVAP-HGWYJPIFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(18:3(6Z,9Z,12Z)/PGE2) (CHEBI:230931) is a lipid (CHEBI:18059)
IUPAC Name 
[(1R,6R,12Z,15R,18R,19S,20R,21R,22R,23S,24R)-3,18,20,21,22,23,24-heptahydroxy-19-[(E,3S)-3-hydroxyoct-1-enyl]-3,8,16-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-6-yl]methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
117230346ChemSpider
HMDB0276779HMDB