Structure Information
Structure

Compound Identification

SMILES

OC1=NC(S)=NC1.N[C@@H](Cc1cnc[nH]1)C(O)=O

InChIKey

InChIKey=DFXZFFVRVJTQJW-JEDNCBNOSA-N

Formula

C9H13N5O3S

Mass

271.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Histidine and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Histidine or derivatives - L-alpha-amino acid - Alpha-amino acid - Imidazolyl carboxylic acid derivative - Aralkylamine - Imidazolidinone - Heteroaromatic compound - Imidazolidine - Imidazole - Azole - Amino acid - Thiourea - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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