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CHEBI:9914 - Ustiloxin

ChEBI IDCHEBI:9914
ChEBI NameUstiloxin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H43N5O12S
Net Charge0
Average Mass673.742
Monoisotopic Mass673.26289
SMILESCC[C@@]1(C)Oc2cc(c([S@](=O)C[C@@H](O)C[C@H](N)C(=O)O)cc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O
InChIInChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)/t13-,15-,20-,21-,22+,23+,28+,46+/m0/s1
InChIKeyQRLBQXQEGMBXFM-JHIHKWCFSA-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)
Ustiloxin (CHEBI:9914) is a cyclic peptide (CHEBI:23449)
Synonyms  Source
UstiloxinKEGG COMPOUND
Ustiloxin AKEGG COMPOUND
Manual XrefsDatabases
C08442KEGG COMPOUND
C00016646KNApSAcK
Registry NumbersSources
CAS:143557-93-1KEGG COMPOUND