5-Mercaptohistidine; (S)-form, 1-Me 

AlkaPlorer ID: AK305564

Synonym: 5-Mercapto-1-methylhistidine

IUPAC Name: 2-amino-3-(1-methyl-5-sulfanylimidazol-4-yl)propanoic acid

Structure

SMILES: CN1C=NC(CC(N)C(=O)O)=C1S

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

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InChIKey: WBKFBEXRADDJIW-UHFFFAOYSA-N

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Reference

PubChem CID: 23425405

CAS: 62982-24-5

COCONUT: CNP0324783.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Octopus vulgaris Octopus Octopodidae Octopoda Cephalopoda Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 201.251

TPSA: 81.14

MolLogP: -0.3368000000000004

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information