EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187382 - N-(13-methyl-tetradecanoyl)-capnine

ChEBI IDCHEBI:187382
ChEBI NameN-(13-methyl-tetradecanoyl)-capnine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H65NO5S
Net Charge0
Average Mass575.941
Monoisotopic Mass575.45835
SMILESCC(C)CCCCCCCCCCCC(=O)N[C@@H](CS(=O)(=O)O)[C@H](O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C32H65NO5S/c1-28(2)23-19-15-11-7-5-9-13-17-21-25-31(34)30(27-39(36,37)38)33-32(35)26-22-18-14-10-6-8-12-16-20-24-29(3)4/h28-31,34H,5-27H2,1-4H3,(H,33,35)(H,36,37,38)/t30-,31+/m0/s1
InChIKeyJICKJYGLSKDGIC-IOWSJCHKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
N-(13-methyl-tetradecanoyl)-capnine (CHEBI:187382) is a fatty amide (CHEBI:29348)
IUPAC Name 
(2R,3R)-3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecane-1-sulonic acid
Manual XrefsDatabases
LMSP01080067LIPID MAPS
8183902ChemSpider