mycothiol-bimane conjugate
Chemical Formula:
C27H40N4O14S
Molecular Weight:
676.691 Daltons
Monoisotopic Mass:
676.2261727042 Daltons
SMILES:
CC3(=C(C)N4(C(CSCC(NC(C)=O)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO))=C(C)C(=O)N(C(=O)3)4))
InChI:
1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23-,27+/m0/s1
InChIKey:
Synonyms
- MSmB
Databases
MetaCyc:
CPD1G-130
PubChem (CID):
11273915
MetaNetX:
MNXM12306