(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid - ≥97% , CAS No.1445865-55-3

CAS: 1445865-55-3 Cat. No.: H629260 Molecular Weight: 239.18 PubChem CID: 118106218

GRADE & PURITY ≥97%

Synonyms

1445865-55-3 | (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid | 3,8-Indolizinedicarboxylic acid, 1,2,3,5-tetrahydro-7-hydroxy-5-oxo-, (3S)- | SCHEMBL16753481 | MFCD31802541 | AS-78343 | D96851 | (3S)-7-hydroxy-5-oxo-1,2,3,5-tetrahydr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1445865-55-3 | (3S)-7-hydroxy-5-oxo-2, 3-dihydro-1H-indolizine-3, 8-dicarboxylic acid | 3, 8-Indolizinedicarboxylic acid, 1, 2, 3, 5-tetrahydro-7-hydroxy-5-oxo-, (3S)- | SCHEMBL16753481 | MFCD31802541 | AS-78343 | D96851 | (3S)-7-hydroxy-5-oxo-1, 2, 3, 5-tetrahydr

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2=C(C(=CC(=O)N2C1C(=O)O)O)C(=O)O
• IUPAC Name: (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
• InChIKey: HUFICPZUGMCVGN-YFKPBYRVSA-N
• INCHI: 1S/C10H9NO6/c12-6-3-7(13)11-4(8(6)10(16)17)1-2-5(11)9(14)15/h3,5,12H,1-2H2,(H,14,15)(H,16,17)/t5-/m0/s1
• Isomeric SMILES: C1CC2=C(C(=CC(=O)N2[C@@H]1C(=O)O)O)C(=O)O
• PubChem CID: 118106218
• Molecular Weight: 239.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-L-alpha-amino acids

• 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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Pyridinecarboxylic acids Pyrrolidine carboxylic acids Polyhalopyridines N-acylpyrrolidines 1-carboxy-2-haloaromatic compounds Short-chain hydroxy acids and derivatives Hydroxypyridines Hydroxy fatty acids Heterocyclic fatty acids Dihydropyridines Branched fatty acids 2-halopyridines Unsaturated fatty acids N-acyl amines Dicarboxylic acids and derivatives Vinylogous amides Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Polyhalopyridine - 1-carboxy-2-haloaromatic compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acylpyrrolidine - 2-halopyridine - Hydroxypyridine - Short-chain hydroxy acid - Hydroxy fatty acid - Heterocyclic fatty acid - Dihydropyridine - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyridine - N-acyl-amine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y