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CHEBI:71382 - N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71382
ChEBI NameN-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 23 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H79NO4
Net Charge0
Average Mass638.075
Monoisotopic Mass637.60091
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C40H79NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-39(44)40(45)41-37(35-42)38(43)33-30-27-24-22-19-20-23-26-29-32-36(2)3/h30,33,36-39,42-44H,4-29,31-32,34-35H2,1-3H3,(H,41,45)/b33-30+/t37-,38+,39?/m0/s1
InChIKeyCINPVOJPRVRATG-CWXRONFQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71382) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxytricosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71382) 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]-2-hydroxytricosanamide