Chemical Components in the PDB

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H5M : Summary

Code

H5M

One-letter code

P

Molecule name

TRANS-3-HYDROXY-5-METHYLPROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S,5S)-3-hydroxy-5-methyl-L-proline
OpenEye OEToolkits 1.5.0 (2S,3S,5S)-3-hydroxy-5-methyl-pyrrolidine-2-carboxylic acid

Formula

C6 H11 N O3

Formal charge

0

Molecular weight

145.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NC(C)CC1O
SMILES CACTVS 3.341 C[CH]1C[CH](O)[CH](N1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC1CC(C(N1)C(=O)O)O
Canonical SMILES CACTVS 3.341 C[C@H]1C[C@H](O)[C@H](N1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O

IUPAC InChI

InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1

IUPAC InChI key

RVIGBNHLNBRMFX-YUPRTTJUSA-N
H5M

wwPDB Information

Atom count

21 (10 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

2023-11-03

Status

Released

Obsoleted

Not Assigned