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CHEBI:218952 - Combamide C

ChEBI IDCHEBI:218952
ChEBI NameCombamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O4
Net Charge0
Average Mass476.617
Monoisotopic Mass476.26751
SMILESCC(=O)[C@@H]1C[C@H]2C[C@@H]3[C@@H]4/C=C\[C@@H]5C(=O)NCCC[C@@H]6NC(=O)C(=C[C@H]5C=C[C@@H]4C[C@@H]3[C@H]2[C@@H]1C)C6=O
InChIInChI=1S/C29H36N2O4/c1-14-21(15(2)32)12-18-13-22-19-7-8-20-17(6-5-16(19)10-23(22)26(14)18)11-24-27(33)25(31-29(24)35)4-3-9-30-28(20)34/h5-8,11,14,16-23,25-26H,3-4,9-10,12-13H2,1-2H3,(H,30,34)(H,31,35)/b6-5?,8-7-,24-11?/t14-,16-,17-,18+,19-,20+,21-,22-,23+,25+,26+/m1/s1
InChIKeyRDOYHJYPULHXMH-SOYOGSGJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies S10 (ncbitaxon:1476997) - PubMed (29792712)
ChEBI Ontology
Outgoing Relation(s)
Combamide C (CHEBI:218952) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,6S,8S,9R,10S,11R,13R,15S,16R,17Z,19S,25S)-11-acetyl-10-methyl-21,26-diazahexacyclo[23.2.1.03,19.06,16.08,15.09,13]octacosa-1,4,17-triene-20,27,28-trione