EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204730 - Thiochondrilline B

ChEBI IDCHEBI:204730
ChEBI NameThiochondrilline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37N5O7S3
Net Charge0
Average Mass639.822
Monoisotopic Mass639.18551
SMILESCOC(=O)[C@@H](CSC)N(C)C(=O)[C@H](CSC)N(C)C(=O)CNC(=O)[C@@H](CSC)NC(=O)c1nc2ccccc2cc1O
InChIInChI=1S/C27H37N5O7S3/c1-31(19(14-41-5)26(37)32(2)20(15-42-6)27(38)39-3)22(34)12-28-24(35)18(13-40-4)30-25(36)23-21(33)11-16-9-7-8-10-17(16)29-23/h7-11,18-20,33H,12-15H2,1-6H3,(H,28,35)(H,30,36)/t18-,19+,20-/m1/s1
InChIKeyFAHSFXZEUSTLEQ-HSALFYBXSA-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 B (CHEBI:204730) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[(3-hydroxyquinoline-2-carbonyl)amino]-3-methylsulanylpropanoyl]amino]acetyl]-methylamino]-3-methylsulanylpropanoyl]-methylamino]-3-methylsulanylpropanoate
Manual XrefsDatabases
28185142ChemSpider