CHEBI:202709 - QN-Quinomycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name QN-Quinomycin A
ChEBI ID CHEBI:202709
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H66N10O12S2
Net Charge 0
Average Mass 1099.290
Monoisotopic Mass 1098.43031
InChI InChI=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)
InChIKey ZSPMUGHMAZVYBG-UHFFFAOYSA-N
SMILES S1C(SC)C2N(C(=O)C(NC(=O)C(NC(=O)C=3C=NC4=CC=CC=C4C3)COC(C(N(C(C(C1)N(C(=O)C(NC(=O)C(NC(=O)C=5C=NC6=CC=CC=C6C5)COC(C(N(C2=O)C)C(C)C)=O)C)C)=O)C)C(C)C)=O)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
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 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 Xref Database
78444025 ChemSpider
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