CHEBI:225991 - Victorin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Victorin E
ChEBI ID CHEBI:225991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H44Cl4N6O13
Net Charge 0
Average Mass 850.520
Monoisotopic Mass 848.17205
InChI InChI=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
InChIKey OFSPGCBDZZVUAR-SAIOMJCNSA-N
SMILES Cl/C=C\1/NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)O)CC(C(Cl)(Cl)Cl)C)[C@H](O)CCCN)[C@@H](OC=2CC(C(C2CC(NC1=O)C(=O)O)=O)O)C(C)C
Metabolite of Species Details
Bipolaris victoriae (NCBI:txid40125) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
78445466 ChemSpider
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