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CHEBI:71391 - N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71391
ChEBI NameN-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC45H89NO4
Net Charge0
Average Mass708.210
Monoisotopic Mass707.67916
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C45H89NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-44(49)45(50)46-42(40-47)43(48)38-35-32-29-27-24-25-28-31-34-37-41(2)3/h35,38,41-44,47-49H,4-34,36-37,39-40H2,1-3H3,(H,46,50)/b38-35+/t42-,43+,44?/m0/s1
InChIKeyPFLNVQWDBPBFRS-OZRVOQIZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71391) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71391) 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-hydroxyoctacosanamide