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CHEBI:87400 - UK 65662

ChEBI IDCHEBI:87400
ChEBI NameUK 65662
Stars
DefinitionA cyclodepsipeptide antibiotic that is isolated from Streptomyces sp. SNA15896 and also exhibits antitumour activity.
Last Modified21 August 2015
Submittergemma
DownloadsMolfile
FormulaC55H66N10O14S2
Net Charge0
Average Mass1155.323
Monoisotopic Mass1154.42014
SMILES[H][C@@]12C(=O)N(C)[C@]3(C[C@@H]3C)C(=O)OC[C@@H](NC(=O)c3nc4ccccc4cc3O)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CS[C@H]1SC(C)C)C(=O)N(C)[C@]1(C[C@@H]1C)C(=O)OC[C@@H](NC(=O)c1nc3ccccc3cc1O)C(=O)N[C@@H](C)C(=O)N2C
InChIInChI=1S/C55H66N10O14S2/c1-26(2)81-51-42-50(75)65(10)55(22-28(55)4)53(77)79-24-35(60-45(70)40-38(66)19-31-15-11-13-17-33(31)58-40)43(68)56-29(5)47(72)62(7)37(25-80-51)49(74)64(9)54(21-27(54)3)52(76)78-23-36(44(69)57-30(6)48(73)63(42)8)61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41/h11-20,26-30,35-37,42,51,66-67H,21-25H2,1-10H3,(H,56,68)(H,57,69)(H,60,70)(H,61,71)/t27-,28-,29-,30-,35+,36+,37-,42+,51-,54-,55-/m0/s1
InChIKeyHDMUZLQWDPUHND-PGKBBLNOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. SNA15896 (ncbitaxon:497689) - PubMed (19514719) Strain: SNA15896
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
UK 65662 (CHEBI:87400) has role bacterial metabolite (CHEBI:76969)
UK 65662 (CHEBI:87400) is a cyclodepsipeptide (CHEBI:35213)
UK 65662 (CHEBI:87400) is a dithioacetal (CHEBI:59794)
UK 65662 (CHEBI:87400) is a heterodetic cyclic peptide (CHEBI:24533)
UK 65662 (CHEBI:87400) is a hydroxyquinoline (CHEBI:38774)
UK 65662 (CHEBI:87400) 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)-2,2'',3',11',13',16',24',26'-octamethyl-2',5',9',12',15',18',22',25'-octaoxo-27'-[(propan-2-yl)sulfanyl]-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  Source
SW-163FChEBI
UK 66,652ChemIDplus
UK-65662ChemIDplus
Registry NumbersSources
Reaxys:11250491Reaxys
CAS:120832-02-2ChemIDplus
Citations