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CHEBI:65619 - chloropeptin II

Default Structure
ChEBI IDCHEBI:65619
ChEBI Namechloropeptin II
Stars
DefinitionA heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.
Last Modified3 August 2014
DownloadsMolfile
FormulaC61H45Cl6N7O15
Net Charge0
Average Mass1328.783
Monoisotopic Mass1325.11048
SMILES[H][C@@]12NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3cnc4cc(ccc34)-c3cc1cc(c3O)Oc1ccc(cc1)C[C@@H](C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1)N(C)C(=O)[C@@H](c1cc(Cl)c(O)c(Cl)c1)NC2=O
InChIInChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t43-,44+,46-,47-,48-,49-/m1/s1
InChIKeyJJGZGELTZPACID-OTLJHNKQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (9066767)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
anti-HIV-1 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
chloropeptin II (CHEBI:65619) has role anti-HIV-1 agent (CHEBI:64947)
chloropeptin II (CHEBI:65619) has role antimicrobial agent (CHEBI:33281)
chloropeptin II (CHEBI:65619) has role metabolite (CHEBI:25212)
chloropeptin II (CHEBI:65619) is a cyclic ether (CHEBI:37407)
chloropeptin II (CHEBI:65619) is a heterodetic cyclic peptide (CHEBI:24533)
chloropeptin II (CHEBI:65619) is a indoles (CHEBI:24828)
chloropeptin II (CHEBI:65619) is a organochlorine compound (CHEBI:36683)
chloropeptin II (CHEBI:65619) is a peptide antibiotic (CHEBI:25903)
chloropeptin II (CHEBI:65619) is a polyphenol (CHEBI:26195)
Synonyms  Source
ComplestatinChemIDplus
α-(((8,13-bis(3,5-dichloro-4-hydroxyphenyl)-5-(((3,5-dichloro-4-hydroxyphenyl)oxoacetyl)amino)-2,4,5,6,7,8,9,10,10a,11,12,13,14,15,16,17-hexadecahydro-31-hydroxy-15-methyl-6,9,11,14-tetraoxo-18,21-etheno-1,27:23,26-dimethenopyrrolo(3',4':12,13)(1,4)diazacyclohexadecino(6,5-d)(1,7,10)oxadiazacyclohexadecin-16-yl)carbonyl)amino)-4-hydroxyphenylacetic acidChemIDplus
Manual XrefsDatabases
C00016684KNApSAcK
C15695KEGG COMPOUND
Registry NumbersSources
Reaxys:20323892Reaxys
CAS:69598-75-0ChemIDplus
Citations