CHEBI:70940 - N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70940
ChEBI ASCII Name N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 25 carbons and 0 double bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C47H97N2O7P
Net Charge 0
Average Mass 833.25600
Monoisotopic Mass 832.70334
InChI InChI=1S/C47H97N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-33-36-39-46(51)48-44(42-56-57(53,54)55-41-40-49(4,5)6)47(52)45(50)38-35-32-29-27-26-28-31-34-37-43(2)3/h43-45,47,50,52H,7-42H2,1-6H3,(H-,48,51,53,54)/t44-,45+,47-/m0/s1
InChIKey PXALBCATZKLJLS-BOPYQAQKSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70940) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70940) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-15-methyl-N-pentacosanoylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012