CHEBI:70939 - N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70939
ChEBI ASCII Name N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C47H95N2O7P
Net Charge 0
Average Mass 831.24020
Monoisotopic Mass 830.68769
InChI InChI=1S/C47H95N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-46(51)47(52)48-44(42-56-57(53,54)55-41-40-49(4,5)6)45(50)38-35-32-29-27-24-25-28-31-34-37-43(2)3/h35,38,43-46,50-51H,7-34,36-37,39-42H2,1-6H3,(H-,48,52,53,54)/b38-35+/t44-,45+,46?/m0/s1
InChIKey CCOVPWPRULOZOO-PLACYDAFSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(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-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70939) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70939) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)
Last Modified
05 March 2013