GtoPdb is requesting financial support from commercial users. Please see our sustainability page for more information.

alboverticillin   Click here for help

GtoPdb Ligand ID: 14256

Synonyms: triculamin
Compound class: Peptide
Comment: Alboverticillin is an antimycobacterial compound first isolated from the culture broth of a Streptomyces sp. in the 1950s [2] and recently identified as a lasso peptide [1].
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

✖
Canonical SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@@H]1CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1
Isomeric SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@@H]1CC(=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)N2CCC[C@H]2C(=O)NCC(=O)N1)CCCCN)CO)CCCCN)CCCCN)CO
InChI InChI=1S/C72H129N27O21/c1-5-40(4)58(69(119)94-42(21-14-28-81-71(77)78)60(110)83-32-52(103)88-41(17-6-10-24-73)59(109)84-34-54(105)97-57(39(2)3)68(118)93-43(22-15-29-82-72(79)80)61(111)87-36-56(107)108)98-55(106)35-85-62(112)47-31-51(102)90-48(37-100)65(115)92-44(18-7-11-25-74)63(113)91-45(19-8-12-26-75)64(114)96-49(38-101)66(116)95-46(20-9-13-27-76)70(120)99-30-16-23-50(99)67(117)86-33-53(104)89-47/h39-50,57-58,100-101H,5-38,73-76H2,1-4H3,(H,83,110)(H,84,109)(H,85,112)(H,86,117)(H,87,111)(H,88,103)(H,89,104)(H,90,102)(H,91,113)(H,92,115)(H,93,118)(H,94,119)(H,95,116)(H,96,114)(H,97,105)(H,98,106)(H,107,108)(H4,77,78,81)(H4,79,80,82)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-/m0/s1
InChI Key ICDIBSXJAWASKP-HESAYSFXSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Peptide
Synonyms Click here for help
triculamin
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Alboverticillin
Other databases
ChEMBL Ligand CHEMBL5188481
PubChem CID 168280023
Search Google for chemical match using the InChIKey ICDIBSXJAWASKP-HESAYSFXSA-N
Search Google for chemicals with the same backbone ICDIBSXJAWASKP
UniChem Compound Search for chemical match using the InChIKey ICDIBSXJAWASKP-HESAYSFXSA-N
UniChem Connectivity Search for chemical match using the InChIKey ICDIBSXJAWASKP-HESAYSFXSA-N