CHEBI:80052 - Quinomycin A

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ChEBI Name Quinomycin A
ChEBI ID CHEBI:80052
Stars This entity has been manually annotated by a third party.
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Formula C51H64N12O12S2
Net Charge 0
Average Mass 1101.25700
Monoisotopic Mass 1100.42081
InChI InChI=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
InChIKey AUJXLBOHYWTPFV-MXGHYKICSA-N
SMILES CSC1SCC2N(C)C(=O)C(C)NC(=O)[C@@H](COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)[C@@H](COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c1cnc2ccccc2n1)NC(=O)c1cnc2ccccc2n1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Quinomycin A (CHEBI:80052) is a cyclodepsipeptide (CHEBI:35213)
Synonym Source
Echinomycin KEGG COMPOUND
Manual Xref Database
C15722 KEGG COMPOUND
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Registry Number Type Source
512-64-1 CAS Registry Number KEGG COMPOUND