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CHEBI:225991 - Victorin E

ChEBI IDCHEBI:225991
ChEBI NameVictorin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44Cl4N6O13
Net Charge0
Average Mass850.534
Monoisotopic Mass848.17205
SMILESCC(C)[C@@H]1OC2=C(CC(C(=O)O)NC(=O)/C(=C\Cl)NC(=O)C1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C(Cl)(Cl)Cl)NC(=O)C(O)O)[C@H](O)CCCN)C(=O)C(O)C2
InChIInChI=1S/C31H44Cl4N6O13/c1-11(2)23-21(27(48)39-16(10-32)25(46)38-15(29(50)51)8-13-19(54-23)9-18(43)22(13)44)41-26(47)20(17(42)5-4-6-36)40-24(45)14(37-28(49)30(52)53)7-12(3)31(33,34)35/h10-12,14-15,17-18,20-21,23,30,42-43,52-53H,4-9,36H2,1-3H3,(H,37,49)(H,38,46)(H,39,48)(H,40,45)(H,41,47)(H,50,51)/b16-10+/t12?,14-,15?,17+,18?,20-,21?,23-/m0/s1
InChIKeyOFSPGCBDZZVUAR-SAIOMJCNSA-N
Species of MetaboliteComponentSourceComments
Bipolaris victoriae (ncbitaxon:40125) - DOI (10.1007/bf01946431)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Victorin E (CHEBI:225991) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,7E)-4-[[(2S,3R)-6-amino-3-hydroxy-2-[[(2S)-5,5,5-trichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid
Manual XrefsDatabases
78445466ChemSpider