15-amino-12-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,13-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid (CHEBI:194060)

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CHEBI:194060 - 15-amino-12-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,13-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid

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ChEBI ID	CHEBI:194060
ChEBI Name	15-amino-12-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,13-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C37H61N5O12S2
Net Charge	0
Average Mass	832.052
Monoisotopic Mass	831.37581
SMILES	C/C(=C\c1csc(C)n1)C(N)CC(O)C(C)(CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O)SCC(/N=C(\O)CCC(N)C(=O)O)/C(O)=N/CC(=O)O
InChI	InChI=1S/C37H61N5O12S2/c1-19(32(50)21(3)33(51)36(5,6)27(43)15-30(46)47)9-8-12-37(7,28(44)14-25(39)20(2)13-23-17-55-22(4)41-23)56-18-26(34(52)40-16-31(48)49)42-29(45)11-10-24(38)35(53)54/h13,17,19,21,24-28,32,43-44,50H,8-12,14-16,18,38-39H2,1-7H3,(H,40,52)(H,42,45)(H,46,47)(H,48,49)(H,53,54)/b20-13+
InChIKey	ABDAXTPVSGPMGJ-DEDYPNTBSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	15-amino-12-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,13-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid (CHEBI:194060) is a peptide (CHEBI:16670)