CHEBI:66300 - cyclodepsipeptide 2

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ChEBI Name cyclodepsipeptide 2
ChEBI ID CHEBI:66300
Definition An 18-membered cyclodepsipeptide having a 3-formamido-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 C36H51N3O13
Net Charge 0
Average Mass 733.80240
Monoisotopic Mass 733.342
InChI InChI=1S/C36H51N3O13/c1-11-19(6)28-31(44)38-24(15-17(2)3)29(42)36(9,10)35(48)52-27(18(4)5)34(47)49-20(7)25(33(46)50-21(8)32(45)51-28)39-30(43)22-13-12-14-23(26(22)41)37-16-40/h12-14,16-21,24-25,27-28,41H,11,15H2,1-10H3,(H,37,40)(H,38,44)(H,39,43)/t19-,20+,21-,24-,25-,27-,28-/m0/s1
InChIKey NBVBHNUFSYRTEN-YUZPYZPWSA-N
SMILES [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H](OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)C)[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 cyclodepsipeptide 2 (CHEBI:66300) has role antineoplastic agent (CHEBI:35610)
cyclodepsipeptide 2 (CHEBI:66300) has role metabolite (CHEBI:25212)
cyclodepsipeptide 2 (CHEBI:66300) is a benzamides (CHEBI:22702)
cyclodepsipeptide 2 (CHEBI:66300) is a cyclodepsipeptide (CHEBI:35213)
cyclodepsipeptide 2 (CHEBI:66300) is a formamides (CHEBI:24079)
cyclodepsipeptide 2 (CHEBI:66300) is a phenols (CHEBI:33853)
IUPAC Name
N-[(2S,5S,8S,13S,16R,17S)-5-[(2S)-butan-2-yl]-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-13-(propan-2-yl)-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-(formylamino)-2-hydroxybenzamide
Citation Waiting for Citations Type Source
17608530 PubMed citation Europe PMC
Last Modified
10 October 2012