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CHEBI:70872 - N-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70872
ChEBI NameN-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 16 carbons and 0 double bonds.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC38H77N2O6P
Net Charge0
Average Mass689.016
Monoisotopic Mass688.55192
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C38H77N2O6P/c1-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(42)39-36(34-46-47(43,44)45-33-32-40(4,5)6)37(41)30-27-24-21-18-16-17-20-23-26-29-35(2)3/h27,30,35-37,41H,7-26,28-29,31-34H2,1-6H3,(H-,39,42,43,44)/b30-27+/t36-,37+/m0/s1
InChIKeyRPGLLSNDDVGBOW-YTIXFSKQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70872) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-hexadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70872) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)