EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:74201 - N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:74201
ChEBI NameN-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine
DefinitionA N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 22 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified9 January 2014
Submitterabridge
DownloadsMolfile
FormulaC39H79NO5
Net Charge0
Average Mass642.063
Monoisotopic Mass641.59582
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C39H79NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-37(43)39(45)40-35(33-41)38(44)36(42)31-28-25-22-20-19-21-24-27-30-34(2)3/h34-38,41-44H,4-33H2,1-3H3,(H,40,45)/t35-,36+,37?,38-/m0/s1
InChIKeyKBJNXFMLOQQSRM-IEICXCTKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74201) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74201) is a N-acyl-15-methylhexadecaphytosphingosine (CHEBI:71234)
IUPAC Name 
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]docosanamide
Synonym  Source
N-(2-hydroxydocosanoyl)-4-hydroxy-15-methylhexadecahydrosphingosineSUBMITTER