CHEBI:70952 - N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70952
ChEBI ASCII Name N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 27 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 C49H101N2O7P
Net Charge 0
Average Mass 861.30920
Monoisotopic Mass 860.73464
InChI InChI=1S/C49H101N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(53)50-46(44-58-59(55,56)57-43-42-51(4,5)6)49(54)47(52)40-37-34-31-29-28-30-33-36-39-45(2)3/h45-47,49,52,54H,7-44H2,1-6H3,(H-,50,53,55,56)/t46-,47+,49-/m0/s1
InChIKey PEOKUHCGTNNBEN-JLPJUISDSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC(=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-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70952) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70952) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Last Modified
22 November 2012