CHEBI:176049 - Ustiloxin C

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ChEBI Name Ustiloxin C
ChEBI ID CHEBI:176049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H34N4O10S
Net Charge 0
Average Mass 558.600
Monoisotopic Mass 558.19956
InChI InChI=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)
InChIKey GLUWKRSBTMPQNR-UHFFFAOYSA-N
SMILES S(=O)(C=1C=2C(O)C(NC)C(=O)NC(C(=O)NC(C(OC(C2)=C(O)C1)(CC)C)C(=O)NCC(O)=O)C)CCO
Metabolite of Species Details
Ustilaginoidea virens (NCBI:txid1159556) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ustiloxin C (CHEBI:176049) is a oligopeptide (CHEBI:25676)
IUPAC Names
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
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
Manual Xrefs Databases
138879 ChemSpider
8183500 ChemSpider
HMDB0041053 HMDB
View more database links
Registry Number Type Source
158274-98-7 CAS Registry Number ChemIDplus