EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71387 - N-heptacosanoyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71387
ChEBI NameN-heptacosanoyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-heptacosanoyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadedcasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H87NO3
Net Charge0
Average Mass678.184
Monoisotopic Mass677.66860
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C44H87NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-33-36-39-44(48)45-42(40-46)43(47)38-35-32-29-26-24-25-28-31-34-37-41(2)3/h35,38,41-43,46-47H,4-34,36-37,39-40H2,1-3H3,(H,45,48)/b38-35+/t42-,43+/m0/s1
InChIKeyUQYWMWFYVXEXFH-VWVMSPAFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-heptacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71387) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-heptacosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71387) 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]heptacosanamide