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CHEBI:230306 - SM(d19:1/LTE4)

Default Structure
ChEBI IDCHEBI:230306
ChEBI NameSM(d19:1/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H86N3O9PS
Net Charge0
Average Mass900.258
Monoisotopic Mass899.58224
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCCC)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C47H86N3O9PS/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-33-43(51)42(39-59-60(56,57)58-38-37-50(3,4)5)49-47(55)41(48)40-61-45(44(52)34-32-36-46(53)54)35-31-29-27-25-23-19-17-15-13-11-9-7-2/h15,17,23,25,27,29-31,33,35,41-45,51-52H,6-14,16,18-22,24,26,28,32,34,36-40,48H2,1-5H3,(H2-,49,53,54,55,56,57)/b17-15-,25-23-,29-27+,33-30+,35-31+/t41-,42-,43+,44-,45+/m0/s1
InChIKeyIVWRBCKFDPNPTI-HJJDGKOQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d19:1/LTE4) (CHEBI:230306) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(E,2S,3R)-2-[[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulanylpropanoyl]amino]-3-hydroxynonadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290677HMDB