CHEBI:70925 - N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

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ChEBI Name N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70925
ChEBI ASCII Name N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 23 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
Download Molfile XML SDF
Formula C45H91N2O7P
Net Charge 0
Average Mass 803.18700
Monoisotopic Mass 802.65639
InChI InChI=1S/C45H91N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-44(49)45(50)46-42(40-54-55(51,52)53-39-38-47(4,5)6)43(48)36-33-30-27-25-22-23-26-29-32-35-41(2)3/h33,36,41-44,48-49H,7-32,34-35,37-40H2,1-6H3,(H-,46,50,51,52)/b36-33+/t42-,43+,44?/m0/s1
InChIKey MSUJCUBAPPVHSN-MZYGHCORSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70925) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70925) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Last Modified
22 November 2012