CHEBI:70941 - N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70941
ChEBI ASCII Name N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 24 carbons and 0 double bonds and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C46H95N2O8P
Net Charge 0
Average Mass 835.22890
Monoisotopic Mass 834.68261
InChI InChI=1S/C46H95N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(50)46(52)47-42(40-56-57(53,54)55-39-38-48(4,5)6)45(51)43(49)36-33-30-27-25-24-26-29-32-35-41(2)3/h41-45,49-51H,7-40H2,1-6H3,(H-,47,52,53,54)/t42-,43+,44?,45-/m0/s1
InChIKey HKIXQBGDVZKKDK-NKRIFVGSSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70941) is a 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxytetracosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70941) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-N-(2-hydroxytetracosanoyl)-15-methylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012