EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212571 - Victorin B

ChEBI IDCHEBI:212571
ChEBI NameVictorin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46Cl2N6O13
Net Charge0
Average Mass781.644
Monoisotopic Mass780.24999
SMILESCC(CCl)C[C@H](NC(=O)C(O)O)C(=O)N[C@H](C(=O)NC1C(=O)N/C(=C/Cl)C(=O)NC(C(=O)O)CC2=C(CC(O)C2=O)O[C@H]1C(C)C)[C@H](O)CCCN
InChIInChI=1S/C31H46Cl2N6O13/c1-12(2)24-22(28(46)37-17(11-33)26(44)36-16(30(48)49)8-14-20(52-24)9-19(41)23(14)42)39-27(45)21(18(40)5-4-6-34)38-25(43)15(7-13(3)10-32)35-29(47)31(50)51/h11-13,15-16,18-19,21-22,24,31,40-41,50-51H,4-10,34H2,1-3H3,(H,35,47)(H,36,44)(H,37,46)(H,38,43)(H,39,45)(H,48,49)/b17-11+/t13?,15-,16?,18+,19?,21-,22?,24-/m0/s1
InChIKeyQONZIYSJSHZYDF-ODCRBPDESA-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 B (CHEBI:212571) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,7E)-4-[[(2S,3R)-6-amino-2-[[(2S)-5-chloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxyhexanoyl]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
78445469ChemSpider