Allophanic acid; Mono-Na salt

AlkaPlorer ID: AK094191

Synonym: None

IUPAC Name: N-carbamoylcarbamate

Structure

SMILES: NC(=O)NC(=O)[O-]

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InChI: InChI=1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)/p-1

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InChIKey: AVWRKZWQTYIKIY-UHFFFAOYSA-M

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Reference

PubChem CID: 9543250

SuperNatural Ⅲ: SN0016808

NPASS: NPC318394

COCONUT: CNP0125227

Properties Information

Molecule Weight: 103.057

TPSA: 95.25

MolLogP: -2.002

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
AKRT017020 NC(=O)NC(=O)O>>NC(=O)O RXN-20065
AKRT017021 NC(=O)NC(=O)O>>NC(N)=O R00774
AKRT017022 NC(=O)NC(=O)O>>O=C(O)O R00774
AKRT017023 NC(=O)NC(=O)O>>O=C=O R00005
AKRT017036 NC(=O)NC(N)=O>>NC(=O)NC(=O)O RXN-8930
AKRT017459 NC(N)=O.O=C(O)O>>NC(=O)NC(=O)O R00774
AKRT017460 NC(N)=O.O=C=O>>NC(=O)NC(=O)O UREA-CARBOXYLASE-RXN
AKRT022990 O=C(O)NC(=O)NC(=O)O>>NC(=O)NC(=O)O RXN-20064