Ligand
Ligand Name:   PROPYL ACETATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB240 PubChem:   7997
Synonym(s):  
  •   109-60-4
  • n-propyl acetate
  • acetic acid, propyl ester
  • propyl ethanoate
  • 1-acetoxypropane
  • 1-propyl acetate
  • n-propyl ethanoate
  • acetic acid n-propyl ester
  • octan propylu
  • acetic acid propyl ester
  • acetate de propyle normal
  • propylester kyseliny octove
  • unii-4awm8c91g6
  • nsc 72025
  • acetic acid, n-propyl ester
  • 4awm8c91g6
  • acetic acid,propyl ester
  • chebi:40116
  • mfcd00009372
  • n-propyl acetate, 99%, pure
  • octan propylu [polish]
  • n-propyl acetate (natural)
  • fema no. 2925
  • hsdb 161
  • acetate de propyle normal [french]
  • propylester kyseliny octove [czech]
  • einecs 203-686-1
  • un1276
  • brn 1740764
  • ai3-24156
  • acetic acid propyl
  • n-propanol acetate
  • propyl acetate, 99%
  • acmc-1bvdg
  • ch3cooch2ch2ch3
  • dsstox_cid_1901
  • acetic acid-n-propyl ester
  • ec 203-686-1
  • propyl ester of acetic acid
  • dsstox_rid_76393
  • dsstox_gsid_21901
  • schembl14991
  • 4-02-00-00138 (beilstein handbook reference)
  • wln: 3ov1
  • chembl44857
  • propyl acetate, >=99.5%
  • propyl acetate, >=98%, fg
  • dtxsid6021901
  • n-propyl acetate lbg-64752
  • propyl acetate (fragrance grade)
  • propyl acetate (industrial grade)
  • propyl acetate, analytical standard
  • nsc72025
  • zinc1697403
  • tox21_202012
  • 7322af
  • anw-16069
  • nsc-72025
  • sbb060305
  • stl280317
  • akos008949448
  • db01670
  • mcule-7327042566
  • un 1276
  • ncgc00249148-01
  • ncgc00259561-01
  • cas-109-60-4
  • ls-13075
  • db-040874
  • a0044
  • ft-0621756
  • ft-0627474
  • propyl acetate, natural, >=97%, fcc, fg
  • st51046519
  • 7728-ep2269986a1
  • 7728-ep2281821a1
  • 7728-ep2284159a1
  • 7728-ep2287152a2
  • 7728-ep2292606a1
  • 7728-ep2295414a1
  • 7728-ep2298729a1
  • 7728-ep2298756a1
  • 7728-ep2298763a1
  • 7728-ep2305642a2
  • 7728-ep2305667a2
  • 7728-ep2308838a1
  • 7728-ep2308857a1
  • 7728-ep2380568a1
  • 28294-ep2277866a1
  • 28294-ep2280014a2
  • 28294-ep2287168a2
  • 28294-ep2305676a1
  • 28294-ep2305825a1
  • 28294-ep2314577a1
  • n-propyl acetate [un1276] [flammable liquid]
  • q415750
  • j-002310
  • propyl acetate, united states pharmacopeia (usp) reference standard
  • propyl acetate, pharmaceutical secondary standard; certified reference material
show 98 synonym(s)
DrugBank:   DB01670 ChEMBL:   CHEMBL44857
Canonical SMILES:   CCCOC(=O)C
Standard InChI:   InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
Molecular Formula:   C5H10O2 Mol. Weight:   102.06808 logP:   0.9595
HBD:   0 HBA:   2
#Rotatable Bonds:   2 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Carboxylesterase Q06174 (EST_GEOSE) Geobacillus stearothermophilus (Bacillus stearothermophilus) 1TQH 4PA
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SHOW
Carboxylesterase 1 Q0ZPV7 (CXE1_ACTER) Actinidia eriantha (Velvet vine) (Actinidia fulvicoma var. lanata) 2O7R 4PA
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SHOW