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CHEBI:71376 - N-(2-hydroxyicosanoyl)-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71376
ChEBI NameN-(2-hydroxyicosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxyicosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 20 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC37H73NO4
Net Charge0
Average Mass595.994
Monoisotopic Mass595.55396
SMILESCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C37H73NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-25-28-31-36(41)37(42)38-34(32-39)35(40)30-27-24-21-19-16-17-20-23-26-29-33(2)3/h27,30,33-36,39-41H,4-26,28-29,31-32H2,1-3H3,(H,38,42)/b30-27+/t34-,35+,36?/m0/s1
InChIKeyOKHIFBBZKGJKFK-JTLWDLGUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyicosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71376) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyicosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71376) 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-hydroxyicosanamide
Synonym  Source
N-(2-hydroxyeicosanoyl)-15-methylhexadecasphing-4-enineChEBI