Ligand
Ligand Name:   (2E)-BUT-2-ENAL
Ligand Type:   non-polymer
Ligand ID:   COVPDB74 PubChem:   447466
Synonym(s):  
  •   crotonaldehyde
  • 2-butenal
  • crotonal
  • crotylaldehyde
  • (e)-crotonaldehyde
  • trans-crotonaldehyde
  • 123-73-9
  • crotonic aldehyde
  • methylpropenal
  • (e)-but-2-enal
  • trans-2-butenal
  • 1-formylpropene
  • propylene aldehyde
  • 2-butenal, (2e)-
  • beta-methylacrolein
  • 4170-30-3
  • aldehyde crotonique
  • 2-butenaldehyde
  • trans-but-2-enal
  • trans-2-butenaldehyde
  • 2-butenal, (e)-
  • rcra waste number u053
  • crotonaldehyde, (e)-
  • krotonaldehyd
  • nsc 56354
  • topanel
  • un 1143
  • (2e)-crotonaldehyde
  • trans- crotonal
  • unii-6puw625907
  • chebi:41607
  • topanel ca
  • but-2-enal
  • e-2-butenal
  • beta-methyl acrolein
  • rcra waste no. u053
  • chembl1086445
  • (e)-crotonaldehyde (iupac)
  • mfcd00007003
  • 6puw625907
  • 2-butenal, inhibited
  • crotonaldehyde, 99+%
  • crotonaldehyde, inhibited
  • 3-methylacrolein, inhibited
  • krotonaldehyd [czech]
  • .beta.-methylacrolein
  • aldehyde crotonique [french]
  • ccris 909
  • ccris 4501
  • crotonaldehyde, cis-
  • hsdb 252
  • hsdb 2871
  • nci-c56279
  • ai3-18303 (usda)
  • einecs 204-647-1
  • einecs 224-030-0
  • un1143
  • croton aldehyde
  • ai3-18303
  • 2-buten-1-al
  • crotonaldehyde, stabilized
  • epitope id:143635
  • ec 224-030-0
  • gtpl6288
  • dtxsid6020351
  • str00019
  • zinc1686876
  • 7212af
  • bbl011428
  • bdbm50318489
  • stl146535
  • crotonaldehyde, 99+%, acroseal(r)
  • akos005720774
  • db04381
  • ncgc00090830-01
  • ncgc00090830-02
  • crotonaldehyde, predominantly trans, 98%
  • cs-0015768
  • en300-19159
  • c19377
  • crotonaldehyde, stabilized [un1143] [poison]
  • a805141
  • q416036
  • f2191-0167
  • unii-9g72074tuw component mlucvpsaiodcqm-nscuhmnnsa-n
  • crotonaldehyde, mixture of cis and trans, purum, ratio of cis- and trans-isomers (~1:20), >=98.0% (gc)
  • crotonaldehyde, mixture of cis and trans, ratio of cis- and trans-isomers (~1:20), >=99.5% (gc)
  • crotonaldehyde, predominantly trans, >=99%, contains 0.1-0.2% bht as stabilizer, 1% h2o as stabilizer
show 87 synonym(s)
DrugBank:   DB04381 ChEMBL:   CHEMBL1086445
Canonical SMILES:   C/C=C/C=O
Standard InChI:   InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
Molecular Formula:   C4H6O Mol. Weight:   70.04186 logP:   0.7614
HBD:   0 HBA:   1
#Rotatable Bonds:   1 TPSA:   17.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Deoxyribose-phosphate aldolase P0A6L0 (DEOC_ECOLI) Escherichia coli (strain K12) 5EL1 1BO
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Deoxyribose-phosphate aldolase P0A6L0 (DEOC_ECOLI) Escherichia coli (strain K12) 5EMU 1BO
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