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CHEBI:65618 - chloropeptin I

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:
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.
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.
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