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CHEBI:70957 - N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70957
ChEBI NameN-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC50H103N2O8P
Net Charge0
Average Mass891.354
Monoisotopic Mass890.74520
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C50H103N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(54)50(56)51-46(44-60-61(57,58)59-43-42-52(4,5)6)49(55)47(53)40-37-34-31-29-28-30-33-36-39-45(2)3/h45-49,53-55H,7-44H2,1-6H3,(H-,51,56,57,58)/t46-,47+,48?,49-/m0/s1
InChIKeyDQIGKIUMICMIAM-GMENNFPBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70957) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70957) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym  Source
4-hydroxy-N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphinganine-1-phosphocholineChEBI