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CHEBI:213291 - Victorinine E

ChEBI IDCHEBI:213291
ChEBI NameVictorinine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45Cl4N7O11
Net Charge0
Average Mass833.551
Monoisotopic Mass831.19312
SMILESCC(C)[C@@H]1OC2=C(C[C@@H](C(=O)O)NC(=O)/C(=C\Cl)NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C(Cl)(Cl)Cl)NC(=O)CN)[C@H](O)CCCN)C(=O)C(O)C2
InChIInChI=1S/C31H45Cl4N7O11/c1-12(2)25-23(29(50)40-17(10-32)27(48)39-16(30(51)52)8-14-20(53-25)9-19(44)24(14)46)42-28(49)22(18(43)5-4-6-36)41-26(47)15(38-21(45)11-37)7-13(3)31(33,34)35/h10,12-13,15-16,18-19,22-23,25,43-44H,4-9,11,36-37H2,1-3H3,(H,38,45)(H,39,48)(H,40,50)(H,41,47)(H,42,49)(H,51,52)/b17-10+/t13?,15-,16-,18+,19?,22-,23-,25-/m0/s1
InChIKeyIQVPSQRDGRINEI-IWVZWMJNSA-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 E (CHEBI:213291) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,4S,7E,10S)-4-[[(2S,3R)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-5,5,5-trichloro-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