CHEBI:16086 - mycothione

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ChEBI Name mycothione
ChEBI ID CHEBI:16086
Definition The disulfide resulting from oxidative coupling of the thiol groups of two molecules of mycothiol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Secondary ChEBI IDs CHEBI:59603, CHEBI:7041, CHEBI:14627
Supplier Information
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Formula C34H58N4O24S2
Net Charge 0
Average Mass 970.96700
Monoisotopic Mass 970.28824
InChI InChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34+/m0/s1
InChIKey YKSIHFDRGQQOCJ-LHHMOHDTSA-N
SMILES CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing mycothione (CHEBI:16086) has functional parent mycothiol (CHEBI:16768)
mycothione (CHEBI:16086) is a organic disulfide (CHEBI:35489)
IUPAC Name
(2R,2'R)-3,3'-disulfanediylbis{2-(acetylamino)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tetrahydro-2H-pyran-3-yl]propanamide}
Synonyms Sources
MSSM ChEBI
mycothione UniProt
Mycothione KEGG COMPOUND
Manual Xrefs Databases
C11502 KEGG COMPOUND
G11175 KEGG GLYCAN
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Registry Number Type Source
6953243 Beilstein Registry Number Beilstein
Last Modified
01 June 2017