CHEBI:183117 - SM(d16:1/23:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name SM(d16:1/23:0)
ChEBI ID CHEBI:183117
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H89N2O6P
Net Charge 0
Average Mass 773.178
Monoisotopic Mass 772.64583
InChI InChI=1S/C44H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
InChIKey DZDNLWWCTCDASI-QVDCKBILSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing SM(d16:1/23:0) (CHEBI:183117) is a phosphocholines (CHEBI:36700)
IUPAC Name
[(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)hexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113381531 ChemSpider
LMSP03010065 LIPID MAPS
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