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CHEBI:213279 - Victorinine B

ChEBI IDCHEBI:213279
ChEBI NameVictorinine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47Cl2N7O11
Net Charge0
Average Mass764.661
Monoisotopic Mass763.27106
SMILESCC(CCl)C[C@H](NC(=O)CN)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
InChIInChI=1S/C31H47Cl2N7O11/c1-13(2)26-24(30(48)38-18(11-33)28(46)37-17(31(49)50)8-15-21(51-26)9-20(42)25(15)44)40-29(47)23(19(41)5-4-6-34)39-27(45)16(7-14(3)10-32)36-22(43)12-35/h11,13-14,16-17,19-20,23-24,26,41-42H,4-10,12,34-35H2,1-3H3,(H,36,43)(H,37,46)(H,38,48)(H,39,45)(H,40,47)(H,49,50)/b18-11+/t14?,16-,17-,19+,20?,23-,24-,26-/m0/s1
InChIKeyQTDLBSGLYHPPOR-AGOVMQGWSA-N
Species of MetaboliteComponentSourceComments
Bipolaris victoriae (ncbitaxon:40125) - PubMed (32929037)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Victorinine B (CHEBI:213279) is a polypeptide (CHEBI:15841)
IUPAC Name 
(3S,4S,7E,10S)-4-[[(2S,3R)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-chloro-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