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CHEBI:80052 - Quinomycin A

ChEBI IDCHEBI:80052
ChEBI NameQuinomycin A
Stars
DownloadsMolfile
FormulaC51H64N12O12S2
Net Charge0
Average Mass1101.279
Monoisotopic Mass1100.42081
SMILESCSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OC[C@@H](NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OC[C@@H](NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C
InChIInChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27?,28?,35-,36-,37?,38?,39?,40?,51?/m1/s1
InChIKeyAUJXLBOHYWTPFV-MXGHYKICSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Quinomycin A (CHEBI:80052) is a cyclodepsipeptide (CHEBI:35213)
Synonym  Source
EchinomycinKEGG COMPOUND
Manual XrefsDatabases
C15722KEGG COMPOUND
Registry NumbersSources
CAS:512-64-1KEGG COMPOUND