HWD

2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID

Created:	2002-09-20
Last modified:	2020-06-05

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1 entries where HWD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Synonyms	WILLARDIINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
Formula	C₇ H₉ N₃ O₄
Molecular Weight	199.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CN1C=CC(=O)NC1=O
SMILES	CACTVS	3.341	N[CH](CN1C=CC(=O)NC1=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)NC1=O)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CN1C=CC(=O)NC1=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
InChIKey	InChI	1.03	FACUYWPMDKTVFU-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank ID	DB04129
Name	Willardiine
Groups	experimental
Description	Willardiine is a compound isolated from seeds of _Acacia willariana_.
Synonyms	beta-(2,4-Dihydroxypyrimidin-1-yl)alanine Willardiine
Categories	Amino Acids Amino Acids, Peptides, and Proteins Pyrimidines Pyrimidinones
CAS number	21416-43-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutamate receptor 2	MQKIMHISVLLSPVLWGLIFGVSSNSIQIGGLFPRGADQEYSAFRVGMVQ...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682