CHEBI:66146 - kitastatin 1

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ChEBI Name kitastatin 1
ChEBI ID CHEBI:66146
Definition An 18-membered cyclodepsipeptide having a 3-amino-2-hydroxybenzoyl group attached to the amino terminus. It is isolated from an Alaskan Kitasatospora sp. and exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H53N3O12
Net Charge 0
Average Mass 719.81890
Monoisotopic Mass 719.363
InChI InChI=1S/C36H53N3O12/c1-11-19(6)28-31(43)38-24(15-17(2)3)29(41)36(9,10)35(47)50-25(16-18(4)5)33(45)48-20(7)26(34(46)49-21(8)32(44)51-28)39-30(42)22-13-12-14-23(37)27(22)40/h12-14,17-21,24-26,28,40H,11,15-16,37H2,1-10H3,(H,38,43)(H,39,42)/t19-,20+,21-,24-,25-,26-,28-/m0/s1
InChIKey NHGPGFIEZTYBBN-FBIIVLIJSA-N
SMILES [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC
Metabolite of Species Details
Kitasatospora (NCBI:txid2063) 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kitastatin 1 (CHEBI:66146) has role antineoplastic agent (CHEBI:35610)
kitastatin 1 (CHEBI:66146) has role metabolite (CHEBI:25212)
kitastatin 1 (CHEBI:66146) is a benzamides (CHEBI:22702)
kitastatin 1 (CHEBI:66146) is a cyclodepsipeptide (CHEBI:35213)
kitastatin 1 (CHEBI:66146) is a phenols (CHEBI:33853)
kitastatin 1 (CHEBI:66146) is a primary arylamine (CHEBI:50471)
IUPAC Name
3-amino-N-[(2S,5S,8S,13S,16R,17S)-5-[(2S)-butan-2-yl]-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-2-hydroxybenzamide
Manual Xref Database
US2010197570 Patent
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Registry Number Type Source
11184598 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17608530 PubMed citation Europe PMC
Last Modified
10 October 2012