Chemical Components in the PDB

pdbe.org/chem
spacer

HYP : Summary

Code

HYP

One-letter code

P

Molecule name

4-HYDROXYPROLINE

Synonyms

HYDROXYPROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4R)-4-hydroxy-L-proline
OpenEye OEToolkits 1.5.0 (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

Formula

C5 H9 N O3

Formal charge

0

Molecular weight

131.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NCC(O)C1
SMILES CACTVS 3.341 O[CH]1CN[CH](C1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1C(CNC1C(=O)O)O
Canonical SMILES CACTVS 3.341 O[C@H]1CN[C@@H](C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](CN[C@@H]1C(=O)O)O

IUPAC InChI

InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1

IUPAC InChI key

PMMYEEVYMWASQN-DMTCNVIQSA-N

Is part of

1X3
HYP

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned