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A1LXA : Summary

Code

A1LXA

One-letter code

X

Molecule name

L-2-keto-3-deoxyfuconate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid

Formula

C6 H10 O5

Formal charge

0

Molecular weight

162.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1O[C](O)(C[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC1C(CC(O1)(C(=O)O)O)O
Canonical SMILES CACTVS 3.385 C[C@@H]1O[C@@](O)(C[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]1[C@H](C[C@](O1)(C(=O)O)O)O

IUPAC InChI

InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1

IUPAC InChI key

YHDMJIUDFRWPAD-FKZODXBYSA-N
A1LXA

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2024-01-31

Last modified at

2024-07-05

Status

Released

Obsoleted

Not Assigned