mycothione
Chemical Formula:
C34H58N4O24S2
Molecular Weight:
970.965 Daltons
Monoisotopic Mass:
970.2882401930001 Daltons
SMILES:
CC(=O)NC(CSSCC(NC(=O)C)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO))C(=O)NC4(C(OC3(C(O)C(O)C(O)C(O)C(O)3))OC(C(C4O)O)CO)
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:
Synonyms
- 2-acetylamino-3-[2-acetylamino-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]-propanamide
- MSSM
- mycothiol disulfide
Databases
MetaCyc:
MYCOTHIONE
PubChem (CID):
11320601
ChEBI:
16086
ChemSpider:
391500
KEGG:
C11502
RefMet:
Mycothione
Reactome:
879252
Seed:
cpd08341
MetaNetX:
MNXM1935