Chemical Components in the PDB

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L9Z : Summary

Code

L9Z

One-letter code

X

Molecule name

(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid

Formula

C8 H15 N O5

Formal charge

0

Molecular weight

205.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1C(CC(C(C1O)O)(CN)O)C(=O)O
Canonical SMILES CACTVS 3.385 NC[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O

IUPAC InChI

InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1

IUPAC InChI key

YNLZKDMNCIPLRS-GCJQMDKQSA-N
L9Z

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-01

Last modified at

2020-04-10

Status

Released

Obsoleted

Not Assigned