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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Biopterins and derivatives
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
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
Tetracarboxylic acids and derivatives O-glycosyl compounds Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrimidones Pyrazines Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Formamidines Carboxamidines Propargyl-type 1,3-dipolar organic compounds Acetals Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols Organic salts Organic oxides
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