Chemical Components in the PDB

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0L1 : Summary

Code

0L1

One-letter code

X

Molecule name

hexanedioic acid

Synonyms

Adipic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 hexanedioic acid
OpenEye OEToolkits 1.7.6 hexanedioic acid

Formula

C6 H10 O4

Formal charge

0

Molecular weight

146.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCC(=O)O
SMILES CACTVS 3.370 OC(=O)CCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CCC(=O)O)CC(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)CCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(CCC(=O)O)CC(=O)O

IUPAC InChI

InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

IUPAC InChI key

WNLRTRBMVRJNCN-UHFFFAOYSA-N

Is part of

GHE
0L1

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-02-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned