Thuggacin cmc A (CHEBI:222971)

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CHEBI:222971 - Thuggacin cmc A

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ChEBI ID	CHEBI:222971
ChEBI Name	Thuggacin cmc A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H43NO8S
Net Charge	0
Average Mass	577.740
Monoisotopic Mass	577.27094
SMILES	C/C=C(C)/C=C(\C)C(O)C(C)C(O)C(O)C1C/C=C\C=C\C(O)CC(O)C(CO)c2nc(cs2)/C=C(\C)C(=O)O1
InChI	InChI=1S/C30H43NO8S/c1-6-17(2)12-18(3)26(35)20(5)27(36)28(37)25-11-9-7-8-10-22(33)14-24(34)23(15-32)29-31-21(16-40-29)13-19(4)30(38)39-25/h6-10,12-13,16,20,22-28,32-37H,11,14-15H2,1-5H3/b9-7-,10-8+,17-6+,18-12+,19-13+
InChIKey	AXCDOYCLDNZAPV-FUOUZSILSA-N

Species of Metabolite	Component	Source	Comments
Sorangium (ncbitaxon:39643)	-	PubMed (17506044)

ChEBI Ontology

Outgoing Relation(s)
	Thuggacin cmc A (CHEBI:222971) is a thiazoles (CHEBI:48901)

IUPAC Name
(2E,8Z,10E)-12,14-dihydroxy-15-(hydroxymethyl)-3-methyl-6-[(5E,7E)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dienyl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one