Compound Identification
SMILES
C[C@@H]1C[C@@H]2O[C@@]3(C1)CC1O[C@@]4(CC[C@@]5(O4)OC(CC[C@]5(C)O)CC(=C)CCCC4=[NH+]C[C@@H](C)C(C)C[C@]44CCC(=CC4C2O3)C(=O)CCC([O-])=O)CC(C)C1O
InChIKey
InChIKey=MRPUCWZEBLNKPU-LLVUEOEESA-N
Formula
C45H67NO10
Mass
782.028
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Gamma-keto acids and derivatives
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Class
Keto acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Azepines Short-chain keto acids and derivatives Heterocyclic fatty acids Hydroxy fatty acids Ketals Oxepanes Oxanes 1,3-dioxolanes Tertiary alcohols Oxolanes Carboxylic acid salts Secondary alcohols Ketones Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Gamma-keto acid - Azepine - Ketal - Heterocyclic fatty acid - Hydroxy fatty acid - Oxepane - Short-chain keto acid - Fatty acyl - Oxane - Meta-dioxolane - Oxolane - Tertiary alcohol - Carboxylic acid salt - Ketone - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available