2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-hydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,6-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,4-dien-1-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:194052)

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CHEBI:194052 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-hydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,6-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,4-dien-1-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid

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ChEBI ID	CHEBI:194052
ChEBI Name	2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-hydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,6-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,4-dien-1-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid
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Submitter	mwilliams
Downloads	Molfile

Formula	C31H35N3O17S
Net Charge	0
Average Mass	753.692
Monoisotopic Mass	753.16872
SMILES	[H]/C(C(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C(O)=C(SCC(/N=C(\O)CCC(N)C(=O)O)/C(O)=N/CC(=O)O)C1=O)=C(/[H])c1ccc(O)cc1
InChI	InChI=1S/C31H35N3O17S/c32-14(30(48)49)6-8-18(38)34-15(29(47)33-9-19(39)40)11-52-28-22(42)20(16(37)7-3-12-1-4-13(36)5-2-12)27(24(44)25(28)45)51-31-26(46)23(43)21(41)17(10-35)50-31/h1-5,7,14-15,17,21,23,26,31,35-36,41,43,45-46H,6,8-11,32H2,(H,33,47)(H,34,38)(H,39,40)(H,48,49)/b7-3+
InChIKey	CZTNZOWXWUXVLJ-XVNBXDOJSA-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-({2-hydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,6-dioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,4-dien-1-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:194052) is a peptide (CHEBI:16670)