Chemical Components in the PDB

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PRJ : Summary

Code

PRJ

One-letter code

P

Molecule name

(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid
OpenEye OEToolkits 1.7.0 (2S,3aS,6R,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid

Formula

C9 H15 N O3

Formal charge

0

Molecular weight

185.22 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1NC2CC(O)CCC2C1
SMILES CACTVS 3.370 O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C1CC(CC2C1CC(N2)C(=O)O)O
Canonical SMILES CACTVS 3.370 O[C@@H]1CC[C@H]2C[C@H](N[C@H]2C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O

IUPAC InChI

InChI=1S/C9H15NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h5-8,10-11H,1-4H2,(H,12,13)/t5-,6+,7-,8-/m0/s1

IUPAC InChI key

LKYGWJKCHDDFLW-YWIQKCBGSA-N
PRJ

wwPDB Information

Atom count

28 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2010-11-05

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned