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CHEBI:194057 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,10,14,15,16-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-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:194057
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,10,14,15,16-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-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC37H59N5O12S2
Net Charge0
Average Mass830.036
Monoisotopic Mass829.36016
SMILESC/C(=C/c1csc(C)n1)C1CC(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)C(O)/C(O)=N/1
InChIInChI=1S/C37H59N5O12S2/c1-18-9-8-12-37(7,54)26(56-17-25(33(50)39-15-28(44)45)41-27(43)11-10-23(38)35(52)53)14-24(19(2)13-22-16-55-21(4)40-22)42-34(51)30(47)32(49)36(5,6)31(48)20(3)29(18)46/h13,16,18,20,23-26,29-30,32,46-47,49,54H,8-12,14-15,17,38H2,1-7H3,(H,39,50)(H,41,43)(H,42,51)(H,44,45)(H,52,53)/b19-13-/t18?,20?,23?,24?,25?,26?,29?,30?,32?,37-/m1/s1
InChIKeyROELXNSSKJXKMI-HMAKRCQGSA-N
Roles Classification
Chemical Role:
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-{[(5R)-5,10,14,15,16-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-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:194057) is a peptide (CHEBI:16670)