Chemical Components in the PDB

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HID : Summary

Code

HID

One-letter code

X

Molecule name

(5-hydroxy-1H-indol-3-yl)acetic acid

Synonyms

5-hydroxy-indole acetate

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 2-(5-hydroxy-1H-indol-3-yl)ethanoic acid

Formula

C10 H9 N O3

Formal charge

0

Molecular weight

191.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 OC(=O)Cc1c[nH]c2ccc(O)cc12
SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1O)c(c[nH]2)CC(=O)O
Canonical SMILES CACTVS 3.352 OC(=O)Cc1c[nH]c2ccc(O)cc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1O)c(c[nH]2)CC(=O)O

IUPAC InChI

InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)

IUPAC InChI key

DUUGKQCEGZLZNO-UHFFFAOYSA-N
HID

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned