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CHEBI:176049 - Ustiloxin C

ChEBI IDCHEBI:176049
ChEBI NameUstiloxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34N4O10S
Net Charge0
Average Mass558.610
Monoisotopic Mass558.19956
SMILESCCC1(C)Oc2cc(c(S(=O)CCO)cc2O)C(O)C(NC)C(=O)NC(C)C(=O)NC1C(=O)NCC(=O)O
InChIInChI=1S/C23H34N4O10S/c1-5-23(3)19(22(35)25-10-16(30)31)27-20(33)11(2)26-21(34)17(24-4)18(32)12-8-14(37-23)13(29)9-15(12)38(36)7-6-28/h8-9,11,17-19,24,28-29,32H,5-7,10H2,1-4H3,(H,25,35)(H,26,34)(H,27,33)(H,30,31)
InChIKeyGLUWKRSBTMPQNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ustilaginoidea virens (ncbitaxon:1159556) - PubMed (8071121)
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 C (CHEBI:176049) is a oligopeptide (CHEBI:25676)
IUPAC Names 
2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
2-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-13-[(R)-2-hydroxyethylsulinyl]-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
Manual XrefsDatabases
HMDB0041053HMDB
138879ChemSpider
8183500ChemSpider
Registry NumbersSources
CAS:158274-98-7ChemIDplus