Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

15L : Summary

Code

15L

One-letter code

X

Molecule name

D-galactaro-1,5-lactone

Synonyms

galactaro-1,5-lactone
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-oxidotetrahydro-2H-pyran-2-carboxylate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
OpenEye OEToolkits 1.7.0 (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid

Formula

C6 H8 O7

Formal charge

0

Molecular weight

192.124 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1OC(=O)C(O)C(O)C1O
SMILES CACTVS 3.370 O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C1(C(C(OC(=O)C1O)C(=O)O)O)O
Canonical SMILES CACTVS 3.370 O[C@H]1[C@@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 [C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O

IUPAC InChI

InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1

IUPAC InChI key

YLKFQNUGXOLRNI-KXMYSMCESA-N
15L

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned