Chemical Components in the PDB

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Q6M : Summary

Code

Q6M

One-letter code

X

Molecule name

7-[(3-aminopropyl)amino]heptane-2,2-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 7-[(3-aminopropyl)amino]heptane-2,2-diol
OpenEye OEToolkits 2.0.7 7-(3-azanylpropylamino)heptane-2,2-diol

Formula

C10 H24 N2 O2

Formal charge

0

Molecular weight

204.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(NCCCCCC(C)(O)O)CCN
SMILES CACTVS 3.385 CC(O)(O)CCCCCNCCCN
SMILES OpenEye OEToolkits 2.0.7 CC(CCCCCNCCCN)(O)O
Canonical SMILES CACTVS 3.385 CC(O)(O)CCCCCNCCCN
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(CCCCCNCCCN)(O)O

IUPAC InChI

InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3

IUPAC InChI key

VZPARMKCSXRGQB-UHFFFAOYSA-N
Q6M

wwPDB Information

Atom count

38 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-25

Last modified at

2019-11-29

Status

Released

Obsoleted

Not Assigned