EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74197 - N-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:74197
ChEBI NameN-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine
DefinitionA N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 20 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified9 January 2014
Submitterabridge
DownloadsMolfile
FormulaC37H75NO5
Net Charge0
Average Mass614.009
Monoisotopic Mass613.56452
SMILESCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C37H75NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-30-35(41)37(43)38-33(31-39)36(42)34(40)29-26-23-20-18-17-19-22-25-28-32(2)3/h32-36,39-42H,4-31H2,1-3H3,(H,38,43)/t33-,34+,35?,36-/m0/s1
InChIKeyBPDYZHPICQXQFT-ADYMWVAKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74197) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyicosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74197) is a N-acyl-15-methylhexadecaphytosphingosine (CHEBI:71234)
IUPAC Name 
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]icosanamide
Synonym  Source
N-(2-hydroxyeicosanoyl)-4-hydroxy-15-methylhexadecahydrosphingosineSUBMITTER