EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206982 - Capsimycin C

ChEBI IDCHEBI:206982
ChEBI NameCapsimycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O6
Net Charge0
Average Mass512.647
Monoisotopic Mass512.28864
SMILESCC[C@H]1[C@@H]2[C@H](O)[C@@H](O)[C@H]3[C@H](C[C@H]4/C=C/C(O)=C5C(=O)N[C@H](CCCNC(=O)/C=C\C[C@H]34)C5=O)[C@H]2C[C@H]1C
InChIInChI=1S/C29H40N2O6/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)37)7-5-11-30-22(33)8-4-6-17(15)24(19)28(36)27(35)23(16)18/h4,8-10,14-20,23-24,27-28,32,35-36H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,37)/b8-4-,10-9+,25-21?/t14-,15-,16-,17+,18-,19-,20-,23+,24-,27+,28+/m1/s1
InChIKeyDHJBBUAKXSVNPQ-QXDXADLDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces xiamenensis 318 (ncbitaxon:1093097) - PubMed (28098172)
ChEBI Ontology
Outgoing Relation(s)
Capsimycin C (CHEBI:206982) is a azamacrocycle (CHEBI:52898)
Capsimycin C (CHEBI:206982) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3E,5S,7R,8R,10R,11R,12S,13S,14S,15R,16S,18Z,25R)-11-ethyl-2,13,14-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,18-triene-20,27,28-trione