CHEBI:87401 - UK 63052

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name UK 63052
ChEBI ID CHEBI:87401
Definition A cyclodepsipeptide antibiotic that is isolated from Streptomyces sp. SNA15896 and also exhibits antitumour activity.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gemma Holliday
Supplier Information
Download Molfile XML SDF
Formula C56H68N10O14S2
Net Charge 0
Average Mass 1169.32800
Monoisotopic Mass 1168.436
InChI InChI=1S/C56H68N10O14S2/c1-11-29(4)82-52-43-51(76)66(10)56(23-28(56)3)54(78)80-25-36(61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41)44(69)57-30(5)48(73)63(7)38(26-81-52)50(75)65(9)55(22-27(55)2)53(77)79-24-37(45(70)58-31(6)49(74)64(43)8)62-47(72)42-40(68)21-33-17-13-15-19-35(33)60-42/h12-21,27-31,36-38,43,52,67-68H,11,22-26H2,1-10H3,(H,57,69)(H,58,70)(H,61,71)(H,62,72)/t27-,28-,29?,30-,31-,36+,37+,38-,43+,52-,55-,56-/m0/s1
InChIKey VABRZWDEEDQLRD-VGGJGGOJSA-N
SMILES CCC(C)S[C@@H]1SC[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@@]3(C[C@@H]3C)N(C)C(=O)[C@H]1N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@@]1(C[C@@H]1C)N(C)C2=O)NC(=O)c1nc2ccccc2cc1O)NC(=O)c1nc2ccccc2cc1O
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via peptide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing UK 63052 (CHEBI:87401) has role bacterial metabolite (CHEBI:76969)
UK 63052 (CHEBI:87401) is a cyclodepsipeptide (CHEBI:35213)
UK 63052 (CHEBI:87401) is a dithioacetal (CHEBI:59794)
UK 63052 (CHEBI:87401) is a heterodetic cyclic peptide (CHEBI:24533)
UK 63052 (CHEBI:87401) is a hydroxyquinoline (CHEBI:38774)
UK 63052 (CHEBI:87401) is a peptide antibiotic (CHEBI:25903)
IUPAC Name
N,N'-{(1S,1'R,2S,2''S,8'R,11'S,14'R,17'S,21'R,24'S,27'S)-27'-[(butan-2-yl)sulfanyl]-2,2'',3',11',13',16',24',26'-octamethyl-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cyclopropane-1,4'-bicyclo[12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl}bis(3-hydroxyquinoline-2-carboxamide)
Synonyms Sources
Antibiotic UK 63052 ChemIDplus
SW-163G ChEBI
UK 63,052 ChemIDplus
Registry Numbers Types Sources
11250492 Reaxys Registry Number Reaxys
120763-23-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
19514719 PubMed citation SUBMITTER
Last Modified
21 August 2015