deacetylmycothiol

Chemical Formula:

C₁₅H₂₉N₂O₁₁S

Molecular Weight:

445.461 Daltons

Monoisotopic Mass:

445.1492054744 Daltons

SMILES:

C(O)C2(C(C(C(NC(=O)C([N+])CS)C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)O)O)

InChI:

1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/p+1/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1

InChIKey:

ZGXSCMBZZVXWGF-BSEFFJTHSA-O

Synonyms

1-D-myo-inosityl-2-(L-cysteinyl)amido-2-deoxy-α-D-glucopyranoside
Cys-GlcN-Ins
3-O-(2-L-cysteinamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
desacetylmycothiol

Databases

MetaCyc: CPD1G-120

PubChem (CID): 46878469

ChEBI: 58887

Reactome: 879313

Seed: cpd20951

MetaNetX: MNXM1704

KEGG: C19703