CHEBI:71373 - N-icosanoyl-15-methylhexadecasphing-4-enine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-icosanoyl-15-methylhexadecasphing-4-enine
ChEBI ID CHEBI:71373
ChEBI ASCII Name N-icosanoyl-15-methylhexadecasphing-4-enine
Definition An N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 20 carbons and 0 double bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C37H73NO3
Net Charge 0
Average Mass 579.98040
Monoisotopic Mass 579.55905
InChI InChI=1S/C37H73NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-37(41)38-35(33-39)36(40)31-28-25-22-19-17-18-21-24-27-30-34(2)3/h28,31,34-36,39-40H,4-27,29-30,32-33H2,1-3H3,(H,38,41)/b31-28+/t35-,36+/m0/s1
InChIKey YZGXLGWMBKIXSM-RMDSOLTBSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-icosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71373) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-icosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71373) is a N-acyl-15-methylhexadecasphing-4-enine (CHEBI:70846)
IUPAC Name
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]icosanamide
Synonym Source
N-eicosanoyl-15-methylhexadecasphing-4-enine ChEBI
Last Modified
07 March 2013