Chemical Components in the PDB

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EAX : Summary

Code

EAX

One-letter code

X

Molecule name

(2R,3R)-2,3,4-trihydroxybutanoic acid

Synonyms

erythronic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,3R)-2,3,4-trihydroxybutanoic acid
OpenEye OEToolkits 1.9.2 (2R,3R)-2,3,4-tris(oxidanyl)butanoic acid

Formula

C4 H8 O5

Formal charge

0

Molecular weight

136.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)C(O)CO
SMILES CACTVS 3.385 OC[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.9.2 C(C(C(C(=O)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@@H](O)[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 C([C@H]([C@H](C(=O)O)O)O)O

IUPAC InChI

InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1

IUPAC InChI key

JPIJQSOTBSSVTP-PWNYCUMCSA-N
EAX

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-04-07

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned