NCD

N-CARBAMOYL-L-ASPARTATE

Created:	2001-05-17
Last modified:	2011-06-04

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31 entries where NCD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-CARBAMOYL-L-ASPARTATE
Systematic Name (OpenEye OEToolkits)	(2S)-2-(aminocarbonylamino)butanedioic acid
Formula	C₅ H₈ N₂ O₅
Molecular Weight	176.127
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(=O)N)CC(=O)O
SMILES	CACTVS	3.341	NC(=O)N[CH](CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)NC(=O)N)C(=O)O
Canonical SMILES	CACTVS	3.341	NC(=O)N[C@@H](CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H](C(=O)O)NC(=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
InChIKey	InChI	1.03	HLKXYZVTANABHZ-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank ID	DB04252
Name	N-Carbamoylaspartic acid
Groups	experimental
Synonyms	N-Carbamoyl-S-aspartic acid L-N-Carbamoylaspartic acid Ureidosuccinic acid 2-Ureidobutanedioic acid N-Carbamoylaspartic acid
Categories	Amino Acids Amino Acids, Acidic Amino Acids, Dicarboxylic Amino Acids, Peptides, and Proteins Excitatory Amino Acids
CAS number	13184-27-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydroorotase	MTAPSQVLKIRRPDDWHLHLRDGDMLKTVVPYTSEIYGRAIVMPNLAPPV...	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