CHEBI:194055 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,9,10,14,16-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-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

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ChEBI Name 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,9,10,14,16-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-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
ChEBI ID CHEBI:194055
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C37H59N5O12S2
Net Charge 0
Average Mass 830.020
Monoisotopic Mass 829.36016
InChI InChI=1S/C37H59N5O12S2/c1-19(13-22-17-55-21(3)40-22)24-14-27(56-18-25(33(50)39-16-30(46)47)42-28(44)10-9-23(38)34(51)52)36(6,53)11-8-12-37(7,54)32(49)20(2)31(48)35(4,5)26(43)15-29(45)41-24/h13,17,20,23-27,32,43,49,53-54H,8-12,14-16,18,38H2,1-7H3,(H,39,50)(H,41,45)(H,42,44)(H,46,47)(H,51,52)/b19-13-/t20?,23?,24?,25?,26?,27?,32?,36-,37?/m1/s1
InChIKey WAWUKZSNWKEPQZ-HWYVOKDSSA-N
SMILES C\C(=C\C1=CSC(C)=N1)\C2CC([C@@](C)(CCCC(C)(C(C(C)C(C(C)(C)C(CC(=N2)O)O)=O)O)O)O)SCC(/C(=N/CC(=O)O)/O)/N=C(\CCC(C(=O)O)N)/O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,9,10,14,16-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-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:194055) is a peptide (CHEBI:16670)