Mycothiol
AlkaPlorer ID: AK029813
Synonym: None
IUPAC Name: (2R)-2-acetamido-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanamide
Structure
SMILES: CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O
InChI: 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: DUKFQTJTBSIGQL-ZFHOMJCASA-N
Reference
Thiols of Intracellular Pathogens
PubChem CID: 139583440
LOTUS: LTS0144423
{NPAtlas: NPA001269
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | Leishmania | Trypanosomatidae | Trypanosomatida | Kinetoplastea | Euglenozoa | None | Eukaryota |
Properties Information
Molecule Weight: 676.6980000000004
TPSA？: 288.44
MolLogP？: -4.332139999999991
Number of H-Donors: 10
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|