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CHEBI:70927 - N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70927
ChEBI NameN-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 22 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H91N2O8P
Net Charge0
Average Mass807.192
Monoisotopic Mass806.65130
SMILESCCCCCCCCCCCCCCCCCCCCC(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/C44H91N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-42(48)44(50)45-40(38-54-55(51,52)53-37-36-46(4,5)6)43(49)41(47)34-31-28-25-23-22-24-27-30-33-39(2)3/h39-43,47-49H,7-38H2,1-6H3,(H-,45,50,51,52)/t40-,41+,42?,43-/m0/s1
InChIKeyNAWGMTUIXJVSKX-YIWOKQJZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70927) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70927) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym  Source
4-hydroxy-N-(2-hydroxydocosanoyl)-15-methylhexadecasphinganine-1-phosphocholineChEBI