CHEBI:70919 - N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70919
ChEBI ASCII Name N-docosanoyl-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.
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 C44H91N2O7P
Net Charge 0
Average Mass 791.17630
Monoisotopic Mass 790.65639
InChI InChI=1S/C44H91N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-43(48)45-41(39-53-54(50,51)52-38-37-46(4,5)6)44(49)42(47)35-32-29-26-24-23-25-28-31-34-40(2)3/h40-42,44,47,49H,7-39H2,1-6H3,(H-,45,48,50,51)/t41-,42+,44-/m0/s1
InChIKey BQCZSGVJMGSOMZ-KZRDWULCSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(=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-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70919) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70919) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Last Modified
22 January 2013