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CHEBI:223695 - Capsimycin

ChEBI IDCHEBI:223695
ChEBI NameCapsimycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40N2O6
Net Charge0
Average Mass524.658
Monoisotopic Mass524.28864
SMILESCO[C@@H](C)C1C2[C@H](C[C@H]1C)C1C[C@H]3/C=C/C(O)=C4C(=O)N[C@@H](CCCNC(=O)/C=C\C[C@@H]3C1[C@H]1O[C@H]21)C4=O
InChIInChI=1S/C30H40N2O6/c1-14-12-18-19-13-16-9-10-21(33)26-27(35)20(32-30(26)36)7-5-11-31-22(34)8-4-6-17(16)24(19)28-29(38-28)25(18)23(14)15(2)37-3/h4,8-10,14-20,23-25,28-29,33H,5-7,11-13H2,1-3H3,(H,31,34)(H,32,36)/b8-4-,10-9+,26-21?/t14-,15+,16-,17+,18-,19?,20+,23?,24?,25?,28-,29-/m1/s1
InChIKeyIHWQOSNPTRXOEB-UPYCPYLXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (457581)
ChEBI Ontology
Outgoing Relation(s)
Capsimycin (CHEBI:223695) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(3E,5S,8R,10R,13R,15R,17S,19Z,26S)-2-hydroxy-11-[(1S)-1-methoxyethyl]-10-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.05,17.07,16.08,12.013,15]nonacosa-1,3,19-triene-21,28,29-trione