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CHEBI:71386 - N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine

Default Structure
ChEBI IDCHEBI:71386
ChEBI NameN-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 25 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC42H83NO4
Net Charge0
Average Mass666.129
Monoisotopic Mass665.63221
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C42H83NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-41(46)42(47)43-39(37-44)40(45)35-32-29-26-24-21-22-25-28-31-34-38(2)3/h32,35,38-41,44-46H,4-31,33-34,36-37H2,1-3H3,(H,43,47)/b35-32+/t39-,40+,41?/m0/s1
InChIKeyDNHYUZGAHLGOLG-FTDUBDKJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71386) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71386) 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-hydroxypentacosanamide