CHEBI:70927 - N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70927
ChEBI ASCII Name N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 22 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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C44H91N2O8P
Net Charge 0
Average Mass 807.17570
Monoisotopic Mass 806.65130
InChI InChI=1S/C44H91N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-42(48)44(50)45-40(38-54-55(51,52)53-37-36-46(4,5)6)43(49)41(47)34-31-28-25-23-22-24-27-30-33-39(2)3/h39-43,47-49H,7-38H2,1-6H3,(H-,45,50,51,52)/t40-,41+,42?,43-/m0/s1
InChIKey NAWGMTUIXJVSKX-YIWOKQJZSA-N
SMILES CCCCCCCCCCCCCCCCCCCCC(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-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70927) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70927) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-N-(2-hydroxydocosanoyl)-15-methylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012