CR5

(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM

Created:	2003-09-22
Last modified:	2024-09-27

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1 entries where CR5 is found in a polymer sequence

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Chemical Details
Formal Charge	1
Atom Count	24
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	0

2D diagram of CR5

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Chemical Component Summary
Name	(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM
Systematic Name (OpenEye OEToolkits)	2-[(2R)-2-(aminomethyl)-2,5-dihydroxy-4-oxo-3H-imidazol-1-ium-1-yl]ethanoic acid
Formula	C₆ H₁₀ N₃ O₅
Molecular Weight	204.161
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN
SMILES	CACTVS	3.341	NC[C]1(O)NC(=O)C(=[N+]1CC(O)=O)O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)[N+]1=C(C(=O)NC1(CN)O)O
Canonical SMILES	CACTVS	3.341	NC[C@@]1(O)NC(=O)C(=[N+]1CC(O)=O)O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O
InChI	InChI	1.03	InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1
InChIKey	InChI	1.03	IMYOMVNQPPPJHU-ZCFIWIBFSA-O

Drug Info: DrugBank

DrugBank ID	DB01797
Name	(2R)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1H-imidazol-3-ium
Groups	experimental
Synonyms	(2R)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1H-imidazol-3-ium

Related Resource References

Resource Name	Reference
PubChem	49866822

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