CHEBI:70877 - N-(2-hydroxyhexadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-hydroxyhexadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70877
ChEBI ASCII Name N-(2-hydroxyhexadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 16 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 C38H77N2O7P
Net Charge 0
Average Mass 705.00090
Monoisotopic Mass 704.54684
InChI InChI=1S/C38H77N2O7P/c1-7-8-9-10-11-12-13-14-17-21-24-27-30-37(42)38(43)39-35(33-47-48(44,45)46-32-31-40(4,5)6)36(41)29-26-23-20-18-15-16-19-22-25-28-34(2)3/h26,29,34-37,41-42H,7-25,27-28,30-33H2,1-6H3,(H-,39,43,44,45)/b29-26+/t35-,36+,37?/m0/s1
InChIKey YLMSHWFIQYRUBW-MBYSPJHZSA-N
SMILES CCCCCCCCCCCCCCC(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-hydroxyhexadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70877) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyhexadecanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70877) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Last Modified
21 November 2012