L-citrulline zwitterion

AlkaPlorer ID: AK002884

Synonym: '', 'N5-(Aminocarbonyl)ornithine', 'Cit\nSitrulline\nCitrulline\nL-Citrulline\nL-Cytrulline\nCITRULLINE,(L)\n.delta.-Ureidonorvaline\nN5-Carbamoyl-L-ornithine\nN.delta.-Carbamylornithine\nN(.delta.)-Carbamylornithine', 'alpha-amino-delta-ureidovaleric acid', '(S)-2-Amino-5-ureidopentanoic acid', '372-75-8', 'citrulina', 'CITRULLINE', 'L-citrulline', 'L-2-Amino-5-ureidovaleric acid', 'Citrullin', 'delta-ureidonorvaline', '2-Amino-5-ureidovaleric acid', '(2S)-2-azaniumyl-5-(carbamoylamino)pentanoate', 'L-Citrulline', 'N(5)-(aminocarbonyl)ornithine', 'N(delta)-carbamylornithine', 'Citrulline', 'Cit', '2-Amino-5-uredovaleric acid', '627-77-0', 'N(5)-(aminocarbonyl)-DL-ornithine', 'N(5)-carbamoyl-DL-ornithine', 'dl-citrulline', 'N5-carbamoylornithine', 'DL-2-amino-5-ureidovaleric acid', 'N(5)-(aminocarbonyl)-L-ornithine', 'citrulline'

IUPAC Name: (2R)-2-amino-5-(carbamoylamino)pentanoic acid

Structure

SMILES: N=C(O)NCCC[C@@H](N)C(=O)O

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InChI: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1

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InChIKey: RHGKLRLOHDJJDR-SCSAIBSYSA-N

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Reference

PubChem CID: 7004911

CAS: 13594-51-9

SuperNatural Ⅲ: SN0325313-02

NPASS: NPC120635

Properties Information

Molecule Weight: 175.188

TPSA: 119.43

MolLogP: -0.7391300000000005

Number of H-Donors: 5

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015941 N=C(N)NCCC[C@@H](N)C(=O)O>>NC(=O)NCCC[C@@H](N)C(=O)O MNXR172441
AKRT017065 NC(=O)NCCCC(=O)C(=O)O>>NC(=O)NCCC[C@@H](N)C(=O)O enzymemap_22454
AKRT017071 NC(=O)NCCC[C@@H](N)C(=O)O>>NC(=O)NCCCC(=O)C(=O)O enzymemap_22392
AKRT017072 NC(=O)NCCC[C@@H](N)C(=O)O>>NCCC[C@@H](N)C(=O)O enzymemap_77696
AKRT017073 NC(=O)NCCC[C@@H](N)C(=O)O>>O=C=O enzymemap_77696
AKRT017081 NC(=O)NCCC[C@H](N)C(=O)O>>NC(=O)NCCC[C@@H](N)C(=O)O enzymemap_86840