Zelcovamycin (CHEBI:220558)

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CHEBI:220558 - Zelcovamycin

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ChEBI ID	CHEBI:220558
ChEBI Name	Zelcovamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H45N9O9S
Net Charge	0
Average Mass	779.877
Monoisotopic Mass	779.30610
SMILES	C/C=C1\NC(=O)C(CC)NC(=O)CNC(=O)C(C)(C(C)=O)NC(=O)C(Cc2cnc3c(OC)cccc23)NC(=O)c2csc(n2)C(C)NC(=O)CN(C)C1=O
InChI	InChI=1S/C36H45N9O9S/c1-8-22-30(49)41-23(9-2)34(52)45(6)16-28(48)39-18(3)33-43-25(17-55-33)31(50)42-24(13-20-14-37-29-21(20)11-10-12-26(29)54-7)32(51)44-36(5,19(4)46)35(53)38-15-27(47)40-22/h9-12,14,17-18,22,24,37H,8,13,15-16H2,1-7H3,(H,38,53)(H,39,48)(H,40,47)(H,41,49)(H,42,50)(H,44,51)/b23-9-
InChIKey	VYMRECQGDKKGCJ-AQHIEDMUSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (10092195)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Zelcovamycin (CHEBI:220558) is a oligopeptide (CHEBI:25676)

IUPAC Name
(16Z)-7-acetyl-13-ethyl-16-ethylidene-4-[(7-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone

Manual Xrefs	Databases
8570885	ChemSpider