Type A Allatostatin III , CAS No.123209-96-1

CAS: 123209-96-1 Cat. No.: T1444568 PubChem CID: 11853852

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Type A Allatostatin III (allatostatin 3) is a blood-brain barrier permeable and reversible neuropeptide that inhibits hormone synthesis in juvenile female cockroaches. Type A Allatostatin III can be used in pesticide research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)CN
• IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
• InChIKey: FQELVQXEBBNBAC-FSJACQRISA-N
• INCHI: 1S/C42H62N10O12/c1-23(2)14-28(37(44)59)47-36(58)20-46-38(60)30(16-25-8-6-5-7-9-25)50-42(64)33(22-54)52-40(62)31(17-26-10-12-27(55)13-11-26)51-39(61)29(15-24(3)4)49-41(63)32(21-53)48-35(57)19-45-34(56)18-43/h5-13,23-24,28-33,53-55H,14-22,43H2,1-4H3,(H2,44,59)(H,45,56)(H,46,60)(H,47,58)(H,48,57)(H,49,63)(H,50,64)(H,51,61)(H,52,62)/t28-,29-,30-,31-,32-,33-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CN
• PubChem CID: 11853852

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Primary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Primary aliphatic amine - Primary alcohol - Organic oxygen compound - Carbonyl group - Primary amine - Organic oxide - Alcohol - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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