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CHEBI:71390 - N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71390
ChEBI NameN-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H87NO4
Net Charge0
Average Mass694.183
Monoisotopic Mass693.66351
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C44H87NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-43(48)44(49)45-41(39-46)42(47)37-34-31-28-26-23-24-27-30-33-36-40(2)3/h34,37,40-43,46-48H,4-33,35-36,38-39H2,1-3H3,(H,45,49)/b37-34+/t41-,42+,43?/m0/s1
InChIKeyWUTFAZMEKPWENX-MHJIKLBKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71390) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71390) 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-hydroxyheptacosanamide