Chemical Components in the PDB

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FOP : Summary

Code

FOP

One-letter code

X

Molecule name

2-HYDROXY-PROPYL-AMMONIUM

Synonyms

F-LOOP OF VITAMIN B12

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-hydroxypropan-1-aminium
OpenEye OEToolkits 1.5.0 [(2R)-2-hydroxypropyl]azanium

Formula

C3 H10 N O

Formal charge

1

Molecular weight

76.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC(C)C[NH3+]
SMILES CACTVS 3.341 C[CH](O)C[NH3+]
SMILES OpenEye OEToolkits 1.5.0 CC(C[NH3+])O
Canonical SMILES CACTVS 3.341 C[C@@H](O)C[NH3+]
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](C[NH3+])O

IUPAC InChI

InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1

IUPAC InChI key

HXKKHQJGJAFBHI-GSVOUGTGSA-O
FOP

wwPDB Information

Atom count

15 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-04-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned