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CHEBI:73154 - victorin C

ChEBI IDCHEBI:73154
ChEBI Namevictorin C
Stars
DefinitionA heterodetic cyclic peptide produced by the fungus Cochliobolus victoriae that is required for pathogenicity in the organism
Secondary ChEBI IDCHEBI:9977
Last Modified6 February 2018
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC31H45Cl3N6O13
Net Charge0
Average Mass816.089
Monoisotopic Mass814.21102
SMILESCC(C[C@H](NC(=O)C(O)O)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N/C(=C/Cl)C(=O)N[C@H](C(=O)O)CC2=C(CC(O)C2=O)O[C@H]1C(C)C)[C@H](O)CCCN)C(Cl)Cl
InChIInChI=1S/C31H45Cl3N6O13/c1-11(2)23-21(28(47)38-16(10-32)26(45)37-15(30(49)50)8-13-19(53-23)9-18(42)22(13)43)40-27(46)20(17(41)5-4-6-35)39-25(44)14(7-12(3)24(33)34)36-29(48)31(51)52/h10-12,14-15,17-18,20-21,23-24,31,41-42,51-52H,4-9,35H2,1-3H3,(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,49,50)/b16-10+/t12?,14-,15-,17+,18?,20-,21-,23-/m0/s1
InChIKeyLMRCOCQPONDBMR-NLTLFHTOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
victorin C (CHEBI:73154) has role mycotoxin (CHEBI:25442)
victorin C (CHEBI:73154) is a heterodetic cyclic peptide (CHEBI:24533)
victorin C (CHEBI:73154) is a organochlorine compound (CHEBI:36683)
victorin C (CHEBI:73154) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(2S,3S,9S)-3-{[(2S,3R)-6-amino-2-({(2S)-5,5-dichloro-2-[(dihydroxyacetyl)amino]-4-methylpentanoyl}amino)-3-hydroxyhexanoyl]amino}-6-(chloromethylene)-12-hydroxy-2-isopropyl-4,7,11-trioxo-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[k][1,5,8]oxadiazacyclododecine-9-carboxylic acid
Synonym  Source
victorinChEBI
Manual XrefsDatabases
C08443KEGG COMPOUND
C00001523KNApSAcK
Registry NumbersSources
CAS:100822-41-1KEGG COMPOUND
CAS:100822-41-1ChemIDplus
Citations