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CHEBI:138571 - N-(9Z-octadecenoyl)-hexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:138571
ChEBI NameN-(9Z-octadecenoyl)-hexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(9Z-octadecenoyl)-hexadecasphing-4-enine-1-phosphocholine
Last Modified31 May 2018
Submittermwilliams
DownloadsMolfile
FormulaC39H77N2O6P
Net Charge0
Average Mass701.027
Monoisotopic Mass700.55192
SMILES[H][C@@](O)(/C=C/CCCCCCCCCCC)[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H77N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h19-20,30,32,37-38,42H,6-18,21-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b20-19-,32-30+/t37-,38+/m0/s1
InChIKeyQQFVICUNTBNUKN-QQRIYSRRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(9Z-octadecenoyl)-hexadecasphing-4-enine-1-phosphocholine (CHEBI:138571) is a SM(d16:1/18:1) (CHEBI:140886)
Synonym  Source
SM(d16:1/18:1)LIPID MAPS
Manual XrefsDatabases
LMSP03010040LIPID MAPS