CHEBI:29566 - Cyclothialidine

ChEBI IDCHEBI:29566
ChEBI NameCyclothialidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H35N5O12S
Net Charge0
Average Mass641.656
Monoisotopic Mass641.20029
SMILESCc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)[C@@H]1[C@H](O)CCN1C(=O)C(N)CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)CSC2
InChIInChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1
InChIKeyHMHQWJDFNVJCHA-ZPGBQQFCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclothialidine (CHEBI:29566) is a peptide (CHEBI:16670)
Synonym  Source
CyclothialidineKEGG COMPOUND
Manual XrefsDatabases
C12057KEGG COMPOUND
C00016928KNApSAcK
Registry NumbersSources
CAS:147214-63-9KEGG COMPOUND