CHEBI:65656 - complestatin B

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ChEBI Name complestatin B
ChEBI ID CHEBI:65656
Definition A heterodetic cyclic peptide that is chloropeptin II in which the indole moiety is oxidised to the corresponding 3-hydroxy-2-oxindole. It is a HIV-1 integrase inhibitor isolated from Streptomyces.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C61H45Cl6N7O17
Net Charge 0
Average Mass 1360.76500
Monoisotopic Mass 1357.10031
InChI InChI=1S/C61H45Cl6N7O17/c1-74-42(54(82)73-47(59(87)88)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)91-43-21-26-13-32(49(43)77)25-6-11-33-40(20-25)69-60(89)61(33,90)22-41(68-57(85)48(76)29-18-38(66)52(80)39(67)19-29)53(81)70-45(27-14-34(62)50(78)35(63)15-27)55(83)71-44(26)56(84)72-46(58(74)86)28-16-36(64)51(79)37(65)17-28/h2-11,13-21,41-42,44-47,75,77-80,90H,12,22H2,1H3,(H,68,85)(H,69,89)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t41-,42+,44-,45-,46-,47-,61?/m1/s1
InChIKey NGSUYOQYYVLKJJ-NAZRFLCCSA-N
SMILES CN1[C@@H](Cc2ccc(Oc3cc4cc(-c5ccc6c(NC(=O)C6(O)C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
Metabolite of Species Details
Streptomyces sp. (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): HIV-1 integrase inhibitor
An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing complestatin B (CHEBI:65656) has role HIV-1 integrase inhibitor (CHEBI:67268)
complestatin B (CHEBI:65656) has role metabolite (CHEBI:25212)
complestatin B (CHEBI:65656) is a cyclic ether (CHEBI:37407)
complestatin B (CHEBI:65656) is a heterodetic cyclic peptide (CHEBI:24533)
complestatin B (CHEBI:65656) is a indoles (CHEBI:24828)
complestatin B (CHEBI:65656) is a organochlorine compound (CHEBI:36683)
complestatin B (CHEBI:65656) is a polyphenol (CHEBI:26195)
Synonym Source
neuroprotectin B ChEBI
Registry Number Type Source
8894941 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11473415 PubMed citation Europe PMC
21991993 PubMed citation Europe PMC
Last Modified
24 October 2012