Molecule

4-Mercapto-1-methylhistidine; (S)-form

AlkaPlorer ID: AK305572

Synonym: Ovothiol A

IUPAC Name: 2-amino-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid

SMILES: CN1C=NC(S)=C1CC(N)C(=O)O

InChI: InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)

InChIKey: XWKKYVJREGXHFO-UHFFFAOYSA-N

PubChem CID: 9794226

CAS: 108418-13-9

LOTUS: LTS0143016

COCONUT: CNP0314311.2

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NPAtlas: NPA009446

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Paracentrotus lividus	Paracentrotus	Echinidae	Camarodonta	Echinoidea	Echinodermata	Metazoa	Eukaryota
Leishmania donovani	Leishmania	Trypanosomatidae	Trypanosomatida	Kinetoplastea	Euglenozoa	None	Eukaryota
Loligo vulgaris	Loligo	Loliginidae	Myopsida	Cephalopoda	Mollusca	Metazoa	Eukaryota
Evasterias troschelii	Evasterias	Asteriidae	Forcipulatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Molecule Weight: 201.251

TPSA？: 81.14

MolLogP？: -0.3368

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi