CHEBI:218942 - Combamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Combamide A
ChEBI ID CHEBI:218942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H36N2O6
Net Charge 0
Average Mass 508.615
Monoisotopic Mass 508.25734
InChI InChI=1S/C29H36N2O6/c1-17-25-20(16-29(17,37)18(2)32)15-19-9-6-7-13-24(34)30-14-8-11-22-27(35)26(28(36)31-22)23(33)12-5-3-4-10-21(19)25/h3-7,9,12-13,17,19-22,25,33,37H,8,10-11,14-16H2,1-2H3,(H,30,34)(H,31,36)/b4-3+,9-6+,12-5+,13-7+,26-23?/t17-,19+,20+,21-,22-,25-,29-/m0/s1
InChIKey AUPVWQJCTRNGEY-AOEDTVJWSA-N
SMILES O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=CC=CC[C@H]3[C@H](C=CC=C1)C[C@@H]4C[C@@]([C@H]([C@H]34)C)(O)C(=O)C
Metabolite of Species Details
Streptomycesspecies S10 (NCBI:txid1476997) See: PubMed
ChEBI Ontology
Outgoing Combamide A (CHEBI:218942) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5E,8S,9S,10S,11S,13R,15S,16E,18E,25S)-11-acetyl-2,11-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione