Colimycin sulphate , Cell outer membrane inhibitor, CAS No.71457944, Cell outer membrane inhibitor

CAS: 71457944 Cat. No.: C671267 Molecular Weight: 2493.1 PubChem CID: 71457944

Synonyms

Belcomycine | Colistins sulphate | Colimycin sulphate | Colistin sulphate | CHEMBL2218908

Storage

Room temperature

Specifications

Synonyms

Belcomycine | Colistins sulphate | Colimycin sulphate | Colistin sulphate | CHEMBL2218908

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Cell outer membrane inhibitor

Names and Identifiers

• Canonical Smiles: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(CNC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O)C(C)O.CC(C)CCCCC(=O)NC(CCN)C(=O)NC(CNC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(
• IUPAC Name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-h
• InChIKey: ZESIAEVDVPWEKB-ORCFLVBFSA-N
• INCHI: 1S/C53H102N16O12.C52H100N16O12.2H2O4S/c1-9-31(6)12-10-11-13-43(72)61-35(15-21-55)46(74)68-42(32(7)70)28-60-34(14-20-54)45(73)65-39-19-25-59-53(81)44(33(8)71)69-50(78)38(18-24-58)63-47(75)36(16-22-56)64-51(79)40(26-29(2)3)67-52(80)41(27-30(4)5)66-48(
• Isomeric SMILES: CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O)[C@@H](C)O.C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC(C)C)CCN)NC(=O)[C@H](CCN)NC[C@@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O.OS(=O)(=O)O.OS(=O)(=O)O
• PubChem CID: 71457944
• Molecular Weight: 2493.1

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: Cyclic peptides Macrolactams N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-acyl amines Organic sulfuric acids 1,3-aminoalcohols Lactams Secondary carboxylic acid amides Secondary alcohols Dialkylamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Sulfuric acid - Fatty acyl - Fatty amide - N-acyl-amine - 1,3-aminoalcohol - Organic sulfuric acid or derivatives - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Primary aliphatic amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

References

1. Jiaqi Fu, Jincheng Du, Ting Hou, Zhong Wang, Liyuan Sui, Jinlian Li, Yanli Zhao, Ximing Cui, Dongmei Wu.  (2024)  Evaluation of the Antibacterial Activity of Antibiotics with different Antibacterial Mechanisms using Electrochemical Signals of Heat-Treated Escherichia Coli.  ELECTROANALYSIS,      [PMID:] [10.1002/elan.202400161]