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CHEBI:207674 - Thiochondrilline C

ChEBI IDCHEBI:207674
ChEBI NameThiochondrilline C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31N5O7S3
Net Charge0
Average Mass609.752
Monoisotopic Mass609.13856
SMILESCOC(=O)[C@H](CSC)N(C)C(=O)[C@@H]1CSSC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)NCC(=O)N1C
InChIInChI=1S/C25H31N5O7S3/c1-29-17(24(35)30(2)18(12-38-4)25(36)37-3)13-40-39-11-16(22(33)26-10-20(29)32)28-23(34)21-19(31)9-14-7-5-6-8-15(14)27-21/h5-9,16-18,31H,10-13H2,1-4H3,(H,26,33)(H,28,34)/t16-,17+,18+/m1/s1
InChIKeySSNMADOPSZXXTG-SQNIBIBYSA-N
Species of MetaboliteComponentSourceComments
Verrucosisporaspecies (ncbitaxon:1871626) - PubMed (21736356)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thiochondrilline C (CHEBI:207674) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (2R)-2-[[(4R,10S)-10-[(3-hydroxyquinoline-2-carbonyl)amino]-5-methyl-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]-methylamino]-3-methylsulanylpropanoate
Manual XrefsDatabases
28185143ChemSpider