aminomalonic acid

AlkaPlorer ID: AK102579

Synonym: 'Aminomalonic acid', '2-Aminomalonic acid', 'Aminomalonate'

IUPAC Name: 2-azaniumyl-3-hydroxy-3-oxopropanoate

Structure

SMILES: [NH3+]C(C(=O)[O-])C(=O)O

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InChI: InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)

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InChIKey: JINBYESILADKFW-UHFFFAOYSA-N

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Reference

PubChem CID: 100714

CAS: 1068-84-4

SuperNatural Ⅲ: SN0166423

NPASS: NPC319490

COCONUT: CNP0385563

Properties Information

Molecule Weight: 119.07599999999998

TPSA: 105.07

MolLogP: -3.568599999999999

Number of H-Donors: 2

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
AKRT004611 CC(=O)[CoA].NC(C(=O)O)C(=O)O>>CC(=O)[C@H](N)C(=O)O enzymemap_30520
AKRT017336 NC(C(=O)O)C(=O)O>>NCC(=O)O enzymemap_81522
AKRT017337 NC(C(=O)O)C(=O)O>>O=C=O enzymemap_30520
AKRT022570 O=C(O)C(=O)C(=O)O>>NC(C(=O)O)C(=O)O enzymemap_42318