Combamide A (CHEBI:218942)

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CHEBI:218942 - Combamide A

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ChEBI ID	CHEBI:218942
ChEBI Name	Combamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H36N2O6
Net Charge	0
Average Mass	508.615
Monoisotopic Mass	508.25734
SMILES	CC(=O)[C@]1(O)C[C@H]2C[C@H]3/C=C/C=C/C(=O)NCCC[C@@H]4NC(=O)C(=C(O)/C=C/C=C/C[C@@H]3[C@H]2[C@@H]1C)C4=O
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

Species of Metabolite	Component	Source	Comments
Streptomycesspecies S10 (ncbitaxon:1476997)	-	PubMed (29792712)

ChEBI Ontology

Outgoing Relation(s)
	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