BCN

BICINE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count23
Aromatic Bond Count0
2D diagram of BCN
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Chemical Component Summary

NameBICINE
Systematic Name (OpenEye OEToolkits)2-(bis(2-hydroxyethyl)amino)ethanoic acid
FormulaC6 H13 N O4
Molecular Weight163.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CN(CCO)CCO
SMILESCACTVS3.341OCCN(CCO)CC(O)=O
SMILESOpenEye OEToolkits1.5.0C(CO)N(CCO)CC(=O)O
Canonical SMILESCACTVS3.341 OCCN(CCO)CC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(CO)N(CCO)CC(=O)O
InChIInChI1.03 InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKeyInChI1.03 FSVCELGFZIQNCK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03709 
NameBicine
Groups experimental
Synonyms
  • Dihydroxyethylglycine
  • Bicene
  • Diethanol glycine
  • N,N-Dihydroxyethyl glycine
  • Diethylolglycine
Categories
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
CAS number150-25-4

Drug Targets

NameTarget SequencePharmacological ActionActions
PlasminogenMEHKEVVLLLLLFLKSGQGEPLDDYVNTQGASLFSVTKKQLGAGSIEECA...unknown
Membrane-bound lytic murein transglycosylase BMFKRRYVTLLPLFVLLAACSSKPKPTETDTTTGTPSGGFLLEPQHNVMQM...unknown
UDP-galactopyranose mutaseMQPMTARFDLFVVGSGFFGLTIAERVATQLDKRVLVLERRPHIGGNAYSE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 8761, 5256512
ChEBI CHEBI:39066, CHEBI:40957
CCDC/CSD BICINE01, BICINE02, BICINE