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CHEBI:85337 - dapdiamide E

ChEBI IDCHEBI:85337
ChEBI Namedapdiamide E
Stars
DefinitionA member of the family of dapdiamides consisting of 3-aminoalanylvaline, in which the N-terminus is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
Last Modified21 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC12H20N4O6
Net Charge0
Average Mass316.314
Monoisotopic Mass316.13828
SMILESCC(C)[C@H](NC(=O)[C@H](CN)NC(=O)[C@@H]1O[C@H]1C(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O6/c1-4(2)6(12(20)21)16-10(18)5(3-13)15-11(19)8-7(22-8)9(14)17/h4-8H,3,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t5-,6-,7+,8+/m0/s1
InChIKeyBQMJFERCSPVSGR-RULNZFCNSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
dapdiamide E (CHEBI:85337) is a dapdiamide (CHEBI:85331)
dapdiamide E (CHEBI:85337) is a epoxide (CHEBI:32955)
dapdiamide E (CHEBI:85337) is tautomer of dapdiamide E zwitterion (CHEBI:84912)
Incoming Relation(s)
dapdiamide E zwitterion (CHEBI:84912) is tautomer of dapdiamide E (CHEBI:85337)
IUPAC Name 
3-amino-N-[(2R*,3R*)-3-carbamoyloxirane-2-carbonyl]-L-alanyl-L-valine
Manual XrefsDatabases
CPD-17543MetaCyc
Registry NumbersSources
Reaxys:20499537Reaxys
Citations