Chemical Components in the PDB

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FOG : Summary

Code

FOG

One-letter code

X

Molecule name

(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
OpenEye OEToolkits 1.7.6 (4S,5S)-5-azanyl-4-oxidanyl-6-phenyl-hexanoic acid

Formula

C12 H17 N O3

Formal charge

0

Molecular weight

223.268 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCC(O)C(N)Cc1ccccc1
SMILES CACTVS 3.385 N[CH](Cc1ccccc1)[CH](O)CCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)CC(C(CCC(=O)O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](Cc1ccccc1)[C@@H](O)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N

IUPAC InChI

InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1

IUPAC InChI key

RZDSOGPADIZKDQ-QWRGUYRKSA-N

Is part of

PSI
FOG

wwPDB Information

Atom count

33 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2015-02-18

Status

Released

Obsoleted

Not Assigned