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CHEBI:231093 - SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))

ChEBI IDCHEBI:231093
ChEBI NameSM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H77N2O8P
Net Charge0
Average Mass757.047
Monoisotopic Mass756.54175
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCC
InChIInChI=1S/C41H77N2O8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-39(45)40(46)32-29-33-41(47)42-37(36-51-52(48,49)50-35-34-43(3,4)5)38(44)30-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26-28,30,37-40,44-46H,6-13,15,17-19,21,23-25,29,31-36H2,1-5H3,(H-,42,47,48,49)/b16-14-,22-20-,28-26-,30-27+/t37-,38+,39?,40?/m0/s1
InChIKeyYBQGJMJUGKJUAI-RVAFBOKVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:231093) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(E,2S,3R)-2-[[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]amino]-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290273HMDB