Chemical Components in the PDB

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SRO : Summary

Code

SRO

One-letter code

X

Molecule name

SEROTONIN

Synonyms

3-(2-AMINOETHYL)-1H-INDOL-5-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(2-aminoethyl)-1H-indol-5-ol
OpenEye OEToolkits 1.5.0 3-(2-aminoethyl)-1H-indol-5-ol

Formula

C10 H12 N2 O

Formal charge

0

Molecular weight

176.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cc2c(cc1)ncc2CCN
SMILES CACTVS 3.341 NCCc1c[nH]c2ccc(O)cc12
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)c(c[nH]2)CCN
Canonical SMILES CACTVS 3.341 NCCc1c[nH]c2ccc(O)cc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)c(c[nH]2)CCN

IUPAC InChI

InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

IUPAC InChI key

QZAYGJVTTNCVMB-UHFFFAOYSA-N
SRO

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-07-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned