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CHEBI:230877 - SM(d16:1/5-iso PGF2VI)

ChEBI IDCHEBI:230877
ChEBI NameSM(d16:1/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H73N2O9P
Net Charge0
Average Mass744.992
Monoisotopic Mass744.50537
SMILESCCCCCCCCCCC/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/C39H73N2O9P/c1-6-8-10-11-12-13-14-15-16-17-19-24-36(43)35(31-50-51(47,48)49-29-28-41(3,4)5)40-39(46)25-21-20-23-33-34(38(45)30-37(33)44)27-26-32(42)22-18-9-7-2/h19-21,24,26-27,32-38,42-45H,6-18,22-23,25,28-31H2,1-5H3,(H-,40,46,47,48)/b21-20-,24-19+,27-26+/t32-,33+,34-,35+,36-,37+,38-/m1/s1
InChIKeyBPKOOLJGHWEFJV-BVFZXGRUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d16:1/5-iso PGF2VI) (CHEBI:230877) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(E,2S,3R)-2-[[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]amino]-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290274HMDB
128425953ChemSpider