2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,14,15,16-pentahydroxy-5,9,11,13,13-pentamethyl-2-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-oxo-1-azacyclohexadec-1(16)-en-5-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:194058)

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CHEBI:194058 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,14,15,16-pentahydroxy-5,9,11,13,13-pentamethyl-2-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-oxo-1-azacyclohexadec-1(16)-en-5-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid

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ChEBI ID	CHEBI:194058
ChEBI Name	2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,14,15,16-pentahydroxy-5,9,11,13,13-pentamethyl-2-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-oxo-1-azacyclohexadec-1(16)-en-5-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid
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Submitter	mwilliams
Downloads	Molfile

Formula	C37H59N5O12S2
Net Charge	0
Average Mass	830.036
Monoisotopic Mass	829.36016
SMILES	C/C(=C/c1csc(C)n1)C1CC(O)C(C)(SCC(/N=C(/O)CCC(N)C(=O)O)/C(O)=N/CC(=O)O)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)C(O)/C(O)=N/1
InChI	InChI=1S/C37H59N5O12S2/c1-18-9-8-12-37(7,56-17-25(33(51)39-15-28(45)46)41-27(44)11-10-23(38)35(53)54)26(43)14-24(19(2)13-22-16-55-21(4)40-22)42-34(52)30(48)32(50)36(5,6)31(49)20(3)29(18)47/h13,16,18,20,23-26,29-30,32,43,47-48,50H,8-12,14-15,17,38H2,1-7H3,(H,39,51)(H,41,44)(H,42,52)(H,45,46)(H,53,54)/b19-13-
InChIKey	OWORVKWGCJMGBC-UYRXBGFRSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,14,15,16-pentahydroxy-5,9,11,13,13-pentamethyl-2-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-oxo-1-azacyclohexadec-1(16)-en-5-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:194058) is a peptide (CHEBI:16670)