Chemical Components in the PDB

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F5U : Summary

Code

F5U

One-letter code

X

Molecule name

2-(5-methoxy-1H-indol-3-yl)ethanamine

Synonyms

5-Methoxytryptamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(5-methoxy-1~{H}-indol-3-yl)ethanamine

Formula

C11 H14 N2 O

Formal charge

0

Molecular weight

190.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2[nH]cc(CCN)c2c1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(c1)c(c[nH]2)CCN
Canonical SMILES CACTVS 3.385 COc1ccc2[nH]cc(CCN)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(c1)c(c[nH]2)CCN

IUPAC InChI

InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

IUPAC InChI key

JTEJPPKMYBDEMY-UHFFFAOYSA-N
F5U

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-01

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned