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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Bilirubins
-
Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Bilirubins
Intermediate Tree Nodes
Not available
Direct Parent
Bilirubins
Alternative Parents
O-glucuronides Hexoses Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Fatty acid esters Substituted pyrroles Oxanes Pyrans Pyrrolines Heteroaromatic compounds Lactams Secondary alcohols Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Carboxylic acids Azacyclic compounds Polyols Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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