Chemical Components in the PDB

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2OP : Summary

Code

2OP

One-letter code

X

Molecule name

(2S)-2-HYDROXYPROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-hydroxypropanoic acid
OpenEye OEToolkits 1.7.0 (2S)-2-hydroxypropanoic acid

Formula

C3 H6 O3

Formal charge

0

Molecular weight

90.078 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)C
SMILES CACTVS 3.370 C[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C(=O)O)O
Canonical SMILES CACTVS 3.370 C[C@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@@H](C(=O)O)O

IUPAC InChI

InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1

IUPAC InChI key

JVTAAEKCZFNVCJ-REOHCLBHSA-N

Is part of

EAL
2OP

wwPDB Information

Atom count

12 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-12-29

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned