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CHEBI:71389 - N-octacosanoyl-15-methylhexadecasphing-4-enine

Default Structure
ChEBI IDCHEBI:71389
ChEBI NameN-octacosanoyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-octacosanoyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 28 carbons and 0 double bonds.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC45H89NO3
Net Charge0
Average Mass692.211
Monoisotopic Mass691.68425
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C45H89NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-45(49)46-43(41-47)44(48)39-36-33-30-27-25-26-29-32-35-38-42(2)3/h36,39,42-44,47-48H,4-35,37-38,40-41H2,1-3H3,(H,46,49)/b39-36+/t43-,44+/m0/s1
InChIKeyVSPLQWNGUCIQNF-UIIAJYLHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-octacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71389) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-octacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71389) is a N-(ultra-long-chain-acyl)-sphingoid base (CHEBI:144713)
N-octacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71389) 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]octacosanamide
Synonym  Source
15-methyl-N-octacosanoylhexadecasphing-4-enineChEBI