CHEBI:70933 - N-tetracosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-tetracosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70933
ChEBI ASCII Name N-tetracosanoyl-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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information ZINC000000004360
Download Molfile XML SDF
Formula C46H95N2O7P
Net Charge 0
Average Mass 819.22950
Monoisotopic Mass 818.68769
InChI InChI=1S/C46H95N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-45(50)47-43(41-55-56(52,53)54-40-39-48(4,5)6)46(51)44(49)37-34-31-28-26-25-27-30-33-36-42(2)3/h42-44,46,49,51H,7-41H2,1-6H3,(H-,47,50,52,53)/t43-,44+,46-/m0/s1
InChIKey KBZLRRCMFAYCEY-DTLWHLCPSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=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-tetracosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70933) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-tetracosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70933) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-15-methyl-N-tetracosanoylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012