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CHEBI:70906 - N-(2-hydroxynonadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Default Structure
ChEBI IDCHEBI:70906
ChEBI NameN-(2-hydroxynonadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxynonadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 19 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC41H85N2O8P
Net Charge0
Average Mass765.111
Monoisotopic Mass764.60435
SMILESCCCCCCCCCCCCCCCCCC(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/C41H85N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(45)41(47)42-37(35-51-52(48,49)50-34-33-43(4,5)6)40(46)38(44)31-28-25-22-20-19-21-24-27-30-36(2)3/h36-40,44-46H,7-35H2,1-6H3,(H-,42,47,48,49)/t37-,38+,39?,40-/m0/s1
InChIKeyDVSBVIYHWDYCAR-JBIFUTELSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxynonadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70906) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
N-(2-hydroxynonadecanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70906) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
Synonym  Source
4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine-1-phosphocholineChEBI