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CHEBI:70952 - N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70952
ChEBI NameN-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 27 carbons and 0 double bonds.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC49H101N2O7P
Net Charge0
Average Mass861.328
Monoisotopic Mass860.73464
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C49H101N2O7P/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(53)50-46(44-58-59(55,56)57-43-42-51(4,5)6)49(54)47(52)40-37-34-31-29-28-30-33-36-39-45(2)3/h45-47,49,52,54H,7-44H2,1-6H3,(H-,50,53,55,56)/t46-,47+,49-/m0/s1
InChIKeyPEOKUHCGTNNBEN-JLPJUISDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70952) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70952) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)