CHEBI:176979 - SM(d18:2/20:1)

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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(d18:2/20:1)
ChEBI ID CHEBI:176979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H83N2O6P
Net Charge 0
Average Mass 755.119
Monoisotopic Mass 754.59888
InChI InChI=1S/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h11,13,20-21,34,36,41-42,46H,6-10,12,14-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b13-11-,21-20-,36-34+/t41-,42+/m0/s1
InChIKey FQFXBCWLAYNXID-OZGPODLMSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](O)/C=C/CCCCCCCC/C=C\CCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing SM(d18:2/20:1) (CHEBI:176979) is a phosphocholines (CHEBI:36700)
IUPAC Name
[(2S,3R,4E,14Z)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]octadeca-4,14-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMSP03010057 LIPID MAPS
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