Compound Identification
SMILES
CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC3=CC=CC=C3)C3[C@@]4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1
InChIKey
InChIKey=GBZMCEUYBFYNPQ-QASOIIKSSA-N
Formula
C44H53NO14
Mass
819.901
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Fatty acid esters Carbonic acid diesters N-acyl amines Monosaccharides Dicarboxylic acids and derivatives 1,3-dioxolanes Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Carbonic acid diester - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Meta-dioxolane - Cyclic alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Oxetane - Carbonic acid derivative - Ether - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available