CHEBI:220035 - Quinomycin C

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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 Quinomycin C
ChEBI ID CHEBI:220035
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H64N12O12S2
Net Charge 0
Average Mass 1101.270
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)
InChIKey AUJXLBOHYWTPFV-UHFFFAOYSA-N
SMILES S1C(SC)C2N(C(=O)C(NC(=O)C(NC(=O)C3=NC=4C(=CC=CC4)N=C3)COC(C(N(C(C(C1)N(C(=O)C(NC(=O)C(NC(=O)C5=NC=6C(=CC=CC6)N=C5)COC(C(N(C2=O)C)C(C)C)=O)C)C)=O)C)C(C)C)=O)C)C
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 C (CHEBI:220035) 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-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
Manual Xrefs Databases
24747374 ChemSpider
HMDB0251691 HMDB
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Last Modified
10 January 2024