(12R)-15-amino-13-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,12-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid (CHEBI:194059)

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CHEBI:194059 - (12R)-15-amino-13-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,12-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:194059
ChEBI Name	(12R)-15-amino-13-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,12-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(SCC(/N=C(\O)CCC(N)C(=O)O)/C(O)=N/CC(=O)O)[C@](C)(O)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O
InChI	InChI=1S/C37H61N5O12S2/c1-19(32(49)21(3)33(50)36(5,6)27(43)15-30(45)46)9-8-12-37(7,54)28(14-25(39)20(2)13-23-17-55-22(4)41-23)56-18-26(34(51)40-16-31(47)48)42-29(44)11-10-24(38)35(52)53/h13,17,19,21,24-28,32,43,49,54H,8-12,14-16,18,38-39H2,1-7H3,(H,40,51)(H,42,44)(H,45,46)(H,47,48)(H,52,53)/b20-13+/t19?,21?,24?,25?,26?,27?,28?,32?,37-/m1/s1
InChIKey	APTRESWJFASOON-NHSXWKRCSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(12R)-15-amino-13-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-3,7,12-trihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadec-16-enoic acid (CHEBI:194059) is a peptide (CHEBI:16670)