Chemical Components in the PDB

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OJY : Summary

Code

OJY

One-letter code

X

Molecule name

5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline

Systematic names

ProgramVersionName
ACDLabs 12.01 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-5-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]pentanoic acid

Formula

C9 H15 N3 O3

Formal charge

0

Molecular weight

213.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(c1nc(CO)cn1)CCC(C(=O)O)N
SMILES CACTVS 3.385 N[CH](CCCc1[nH]c(CO)cn1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1c([nH]c(n1)CCCC(C(=O)O)N)CO
Canonical SMILES CACTVS 3.385 N[C@@H](CCCc1[nH]c(CO)cn1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO

IUPAC InChI

InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1

IUPAC InChI key

LQZCDDAMPJTCPF-ZETCQYMHSA-N

Is part of

OK4
OJY

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-26

Last modified at

2019-12-06

Status

Released

Obsoleted

Not Assigned