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CHEBI:230353 - SM(d17:2(4E,8Z)/5-iso PGF2VI)

ChEBI IDCHEBI:230353
ChEBI NameSM(d17:2(4E,8Z)/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H73N2O9P
Net Charge0
Average Mass757.003
Monoisotopic Mass756.50537
SMILESCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C40H73N2O9P/c1-6-8-10-11-12-13-14-15-16-17-18-20-25-37(44)36(32-51-52(48,49)50-30-29-42(3,4)5)41-40(47)26-22-21-24-34-35(39(46)31-38(34)45)28-27-33(43)23-19-9-7-2/h15-16,20-22,25,27-28,33-39,43-46H,6-14,17-19,23-24,26,29-32H2,1-5H3,(H-,41,47,48,49)/b16-15-,22-21-,25-20+,28-27+/t33-,34+,35-,36+,37-,38+,39-/m1/s1
InChIKeyKCASRPIDVTYTSU-GTNXXVSJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d17:2(4E,8Z)/5-iso PGF2VI) (CHEBI:230353) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S,3R,4E,8Z)-2-[[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]amino]-3-hydroxyheptadeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425980ChemSpider
HMDB0290422HMDB