Structure Information
Structure

Compound Identification

SMILES

C[C@H](O[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1)[C@H](O)C1=CN=C2N=C(\N=C\N(C)C)N(CCC3=CC=C(C=C3)[N+]([O-])=O)C(=O)C2=N1

InChIKey

InChIKey=JKJBCSKFUASCAM-FMPAPNBYSA-N

Formula

C54H49N7O14

Mass

1020.021

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Pterins and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Biopterins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Biopterin - Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Monosaccharide - Oxane - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Secondary alcohol - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Acetal - Oxacycle - Amidine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

External Descriptors

Not available

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