Navigation

name Structure Reference Source Properties Activities Metabolism

Allantoic acid

AlkaPlorer ID: AK015727

Synonym: Bis[(aminocarbonyl)amino]acetic acid, Diureidoacetic acid, Hidantoic acid (obsol.)

IUPAC Name: 2,2-bis(carbamoylamino)acetic acid

Structure

SMILES: N=C(O)NC(NC(=N)O)C(=O)O

copy

InChI: InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)

copy

InChIKey: NUCLJNSWZCHRKL-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 176.132

TPSA？: 149.52

MolLogP？: -1.43816

Number of H-Donors: 7

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
AKRT017038 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)NC(N)C(=O)O enzymemap_79046
AKRT017039 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)NC(N)C(=O)O.O=C=O None
AKRT017040 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)N[C@@H](O)C(=O)O ALLANTOICASE-RXN
AKRT017041 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)N[C@@H](O)C(=O)O.NC(N)=O None
AKRT017042 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)N[C@H](N)C(=O)O ALLANTOATE-DEIMINASE-RXN
AKRT017043 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)N[C@H](N)C(=O)O.O=C=O None
AKRT017044 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)N[C@H]1NC(=O)NC1=O R02425
AKRT017045 NC(=O)NC(NC(N)=O)C(=O)O>>NC(=O)OP(=O)(O)O R12703
AKRT017046 NC(=O)NC(NC(N)=O)C(=O)O>>NC(N)=O ALLANTOICASE-RXN
AKRT017047 NC(=O)NC(NC(N)=O)C(=O)O>>O=C=O ALLANTOATE-DEIMINASE-RXN
AKRT017056 NC(=O)NC1NC(=O)NC1=O>>NC(=O)NC(NC(N)=O)C(=O)O enzymemap_78549
AKRT017119 NC(=O)N[C@@H](O)C(=O)O.NC(N)=O>>NC(=O)NC(NC(N)=O)C(=O)O R02422
AKRT017123 NC(=O)N[C@@H]1NC(=O)NC1=O>>NC(=O)NC(NC(N)=O)C(=O)O MNXR173297
AKRT017137 NC(=O)N[C@H]1NC(=O)NC1=O>>NC(=O)NC(NC(N)=O)C(=O)O ALLANTOINASE-RXN
AKRT017446 NC(N)=O.NC(=O)N[C@@H](O)C(=O)O>>NC(=O)NC(NC(N)=O)C(=O)O enzymemap_78994