CHEBI:65655 - complestatin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name complestatin A
ChEBI ID CHEBI:65655
Definition A heterodetic cyclic peptide that is chloropeptin II in which the indole moiety is oxidised to the corresponding 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
Download Molfile XML SDF
Formula C61H45Cl6N7O16
Net Charge 0
Average Mass 1344.76500
Monoisotopic Mass 1341.10539
InChI InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,43+,45-,46-,47-,48-/m1/s1
InChIKey ZFUGTFLRENMBAG-HYTWXIRXSA-N
SMILES [H][C@]1(Cc2ccc(Oc3cc4cc(-c5ccc6C(C[C@@H](NC(=O)C(=O)c7cc(Cl)c(O)c(Cl)c7)C(=O)N[C@@H](C(=O)N[C@@]4([H])C(=O)N[C@@H](C(=O)N1C)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc6c5)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 A (CHEBI:65655) has role HIV-1 integrase inhibitor (CHEBI:67268)
complestatin A (CHEBI:65655) has role metabolite (CHEBI:25212)
complestatin A (CHEBI:65655) is a cyclic ether (CHEBI:37407)
complestatin A (CHEBI:65655) is a heterodetic cyclic peptide (CHEBI:24533)
complestatin A (CHEBI:65655) is a indoles (CHEBI:24828)
complestatin A (CHEBI:65655) is a organochlorine compound (CHEBI:36683)
complestatin A (CHEBI:65655) is a polyphenol (CHEBI:26195)
Synonym Source
neuroprotectin A ChEBI
Registry Number Type Source
8894875 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11473415 PubMed citation Europe PMC
Last Modified
10 October 2012