Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C)\C(NC1=O)=C/C1=C(C)C(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1

InChIKey

InChIKey=ARBDURHEPGRPSR-GEADQAOESA-N

Formula

C39H44N4O12

Mass

760.797

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Bilirubins

Intermediate Tree Nodes

Not available

Direct Parent

Bilirubins

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Bilirubin skeleton - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Monosaccharide - Oxane - Hydroxy acid - Pyran - Substituted pyrrole - Fatty acyl - Pyrrole - Pyrroline - Heteroaromatic compound - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Polyol - Organic oxide - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative.

External Descriptors

CHEBI:16427 : (glucosyluronic acid)bilirubin

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