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CHEBI:202709 - QN-Quinomycin A

ChEBI IDCHEBI:202709
ChEBI NameQN-Quinomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H66N10O12S2
Net Charge0
Average Mass1099.303
Monoisotopic Mass1098.43031
SMILESCSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4c3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3c1)C(=O)NC(C)C(=O)N2C
InChIInChI=1S/C53H66N10O12S2/c1-27(2)40-51(72)74-24-38(59-44(65)34-21-32-17-13-15-19-36(32)55-23-34)46(67)57-30(6)48(69)63(10)42-50(71)62(9)41(28(3)4)52(73)75-25-37(58-43(64)33-20-31-16-12-14-18-35(31)54-22-33)45(66)56-29(5)47(68)60(7)39(49(70)61(40)8)26-77-53(42)76-11/h12-23,27-30,37-42,53H,24-26H2,1-11H3,(H,56,66)(H,57,67)(H,58,64)(H,59,65)
InChIKeyZSPMUGHMAZVYBG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (5708318)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
QN-Quinomycin A (CHEBI:202709) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[2,4,12,15,17,25-hexamethyl-27-methylsulanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoline-3-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoline-3-carboxamide
Manual XrefsDatabases
78444025ChemSpider