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CHEBI:70883 - N-(2-hydroxyheptadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70883
ChEBI NameN-(2-hydroxyheptadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyheptadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 17 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC39H79N2O7P
Net Charge0
Average Mass719.042
Monoisotopic Mass718.56249
SMILESCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C39H79N2O7P/c1-7-8-9-10-11-12-13-14-15-18-22-25-28-31-38(43)39(44)40-36(34-48-49(45,46)47-33-32-41(4,5)6)37(42)30-27-24-21-19-16-17-20-23-26-29-35(2)3/h27,30,35-38,42-43H,7-26,28-29,31-34H2,1-6H3,(H-,40,44,45,46)/b30-27+/t36-,37+,38?/m0/s1
InChIKeyBKNLTEGIZABDRD-WTXRHHDWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyheptadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70883) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyheptadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70883) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)