DVA

D-VALINE

Created:	1999-07-08
Last modified:	2023-11-03

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1 entries where DVA is found as a standalone ligand1 entries where DVA is covalently linked to polymer or other heterogen groups 172 entries where DVA is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	1
Bond Count	18
Aromatic Bond Count	0

2D diagram of DVA

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Chemical Component Summary
Name	D-VALINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-methyl-butanoic acid
Formula	C₅ H₁₁ N O₂
Molecular Weight	117.146
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C(C)C
SMILES	CACTVS	3.341	CC(C)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(C)[C@@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey	InChI	1.03	KZSNJWFQEVHDMF-SCSAIBSYSA-N

Related Resource References

Resource Name	Reference
PubChem	71563, 6971095
ChEMBL	CHEMBL1232398
ChEBI	CHEBI:74338, CHEBI:27477
CCDC/CSD	VALHCL12, HOSMAE, WIHQUA, OXEMEL, AHEJEC01, AHEJEC03, SONCED, BANPOW, AHEJEC, BERPET, VALIDL05, AHEJEC02, FITMEA, EWOZIZ, VALNIT01, HAGYEU, MAZBIC
COD	2203771, 2202036

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.