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(S)-(+)-allantoin

AlkaPlorer ID: AK000442

Synonym: '', '(2,5-Dioxo-4-imidazolidinyl)urea', 'MLS002473300', 'SO_UY_026.1', 'Allantoin', 'SMR000528073', '(S)-allantoin', 'MLS000737882', 'N-(2,5-Dioxo-4-imidazolidinyl)urea', '2,5-Dioxo-4-imidazolidinyl-urea', '5-Ureido-2,4-imidazolidindione', 'MLSMR', 'Cordianine', '5-Ureidohydantoin', '(R)-allantoin', '(R)-(-)-allantoin', 'Alantan\nSebical\nAllantol\nALLANTOIN\nCordianine\nGlyoxyldiureid\nGlyoxyldiureide\n5-Ureidohydantoin\nAVC/Dienestrolcream\nHydantoin, 5-ureido-', '4-ureido-2,5-imidazolidinedione', '(R)-Allantoin', 'allantoin', 'ConMedNP.2281', '(R)(-)-Allantoin', '(S)-Allantoin', 'Glyoxyldiureide', '(S)(+)-Allantoin'

IUPAC Name: [(4R)-2,5-dioxoimidazolidin-4-yl]urea

Structure

SMILES: NC(=O)N[C@@H]1NC(=O)NC1=O

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InChI: InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1

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InChIKey: POJWUDADGALRAB-PVQJCKRUSA-N

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Properties Information

Molecule Weight: 158.117

TPSA？: 113.32

MolLogP？: -2.1798

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017049 NC(=O)NC1(C=O)NC(=O)N1>>NC(=O)N[C@@H]1NC(=O)NC1=O enzymemap_87304
AKRT017051 NC(=O)NC1=NC(=O)NC1(O)C(=O)O>>NC(=O)N[C@@H]1NC(=O)NC1=O R06605
AKRT017123 NC(=O)N[C@@H]1NC(=O)NC1=O>>NC(=O)NC(NC(N)=O)C(=O)O MNXR173297
AKRT017124 NC(=O)N[C@@H]1NC(=O)NC1=O>>NC(=O)NC1(C=O)NC(=O)N1 enzymemap_87306
AKRT017125 NC(=O)N[C@@H]1NC(=O)NC1=O>>NC(=O)NC1NC(=O)NC1=O MNXR134397
AKRT017126 NC(=O)N[C@@H]1NC(=O)NC1=O>>NC(=O)N[C@H]1NC(=O)NC1=O R03925
AKRT017139 NC(=O)N[C@H]1NC(=O)NC1=O>>NC(=O)N[C@@H]1NC(=O)NC1=O R03925