Chemical Components in the PDB

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011 : Summary

Code

011

One-letter code

X

Molecule name

7-aminoheptanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 7-aminoheptanoic acid
OpenEye OEToolkits 1.7.0 7-azanylheptanoic acid

Formula

C7 H15 N O2

Formal charge

0

Molecular weight

145.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCCCN
SMILES CACTVS 3.370 NCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CCCN)CCC(=O)O
Canonical SMILES CACTVS 3.370 NCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CCCN)CCC(=O)O

IUPAC InChI

InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)

IUPAC InChI key

XDOLZJYETYVRKV-UHFFFAOYSA-N
011

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-16

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned