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CHEBI:65618 - chloropeptin I

Default Structure
ChEBI IDCHEBI:65618
ChEBI Namechloropeptin I
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-C7 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 Modified1 October 2012
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)Cc3cnc4c(cccc34)-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/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1
InChIKeyFRRCHJPQSWYJSH-OZICGBTHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (9066768) Strain: WK-3419
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 I (CHEBI:65618) has role anti-HIV-1 agent (CHEBI:64947)
chloropeptin I (CHEBI:65618) has role antimicrobial agent (CHEBI:33281)
chloropeptin I (CHEBI:65618) has role metabolite (CHEBI:25212)
chloropeptin I (CHEBI:65618) is a cyclic ether (CHEBI:37407)
chloropeptin I (CHEBI:65618) is a heterodetic cyclic peptide (CHEBI:24533)
chloropeptin I (CHEBI:65618) is a indoles (CHEBI:24828)
chloropeptin I (CHEBI:65618) is a organochlorine compound (CHEBI:36683)
chloropeptin I (CHEBI:65618) is a peptide antibiotic (CHEBI:25903)
chloropeptin I (CHEBI:65618) is a phenols (CHEBI:33853)
Synonym  Source
(2S)-2-(((21S,27S,18R,24R,30R)-14,20,23,26,29-pentaaza-21,27-bis(3,5-dichloro-4-hydroxyphenyl)-18-(2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetylamino)-37-hydroxy-29-methyl-2-oxa-19,22,25,28-tetraoxohexacyclo(30.2.2.1(3,7).0(5,24).0(8,13).0(12,16))heptatriaconta-1(34),3,5,7(37),8,10,12,15,32,35-decaen-30-yl)carbonylamino)-2-(4-hydroxyphenyl)acetic acidChemIDplus
Registry NumbersSources
Reaxys:7913225Reaxys
CAS:160219-64-7ChemIDplus
Citations