CHEBI:70948 - N-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70948
ChEBI ASCII Name N-(2-hydroxypentacosanoyl)-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 and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information ZINC000066102567
Download Molfile XML SDF
Formula C47H97N2O8P
Net Charge 0
Average Mass 849.25540
Monoisotopic Mass 848.69826
InChI InChI=1S/C47H97N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-45(51)47(53)48-43(41-57-58(54,55)56-40-39-49(4,5)6)46(52)44(50)37-34-31-28-26-25-27-30-33-36-42(2)3/h42-46,50-52H,7-41H2,1-6H3,(H-,48,53,54,55)/t43-,44+,45?,46-/m0/s1
InChIKey VNGVYDUINJVBDL-MSIKBXLWSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=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-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70948) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxypentacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70948) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-N-(2-hydroxypentacosanoyl)-15-methylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012