2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,11,14,16-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:194054)

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CHEBI:194054 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,11,14,16-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:194054
ChEBI Name	2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({4,10,11,14,16-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)(O)C(=O)C(C)(C)C(O)C/C(O)=N/1
InChI	InChI=1S/C37H59N5O12S2/c1-19-9-8-12-36(6,56-18-25(32(50)39-16-30(47)48)42-28(45)11-10-23(38)33(51)52)27(44)14-24(20(2)13-22-17-55-21(3)40-22)41-29(46)15-26(43)35(4,5)34(53)37(7,54)31(19)49/h13,17,19,23-27,31,43-44,49,54H,8-12,14-16,18,38H2,1-7H3,(H,39,50)(H,41,46)(H,42,45)(H,47,48)(H,51,52)/b20-13-
InChIKey	APKASFJOVBUTBW-MOSHPQCFSA-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-({4,10,11,14,16-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:194054) is a peptide (CHEBI:16670)