FOP

2-HYDROXY-PROPYL-AMMONIUM

Created:2001-04-11
Last modified:  2021-03-01

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Chemical Details

Formal Charge1
Atom Count15
Chiral Atom Count1
Bond Count14
Aromatic Bond Count0
2D diagram of FOP

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Chemical Component Summary

Name2-HYDROXY-PROPYL-AMMONIUM
SynonymsF-LOOP OF VITAMIN B12
Systematic Name (OpenEye OEToolkits)[(2R)-2-hydroxypropyl]azanium
FormulaC3 H10 N O
Molecular Weight76.118
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(C)C[NH3+]
SMILESCACTVS3.341C[CH](O)C[NH3+]
SMILESOpenEye OEToolkits1.5.0CC(C[NH3+])O
Canonical SMILESCACTVS3.341 C[C@@H](O)C[NH3+]
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](C[NH3+])O
InChIInChI1.03 InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1
InChIKeyInChI1.03 HXKKHQJGJAFBHI-GSVOUGTGSA-O

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02576 
NameF-Loop of Vitamin B12
Groups experimental
SynonymsF-Loop of Vitamin B12
CAS number78-96-6

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Glutamate mutase sigma subunitMEKKTIVLGVIGSDCHAVGNKILDHSFTNAGFNVVNIGVLSSQEDFINAA...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 446260
ChEBI CHEBI:42677
CCDC/CSD LUYKAU, HIVYAN