allantoate (CHEBI:17536)

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ChEBI Name	allantoate

ChEBI ID	CHEBI:17536

Definition	A monocarboxylic acid anion that is the conjugate base of allantoic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:39599, CHEBI:13760, CHEBI:22352

Supplier Information	ChemicalBook:CB3271542, eMolecules:1970569, eMolecules:481810, Selleckchem:biotin-vitamin-b7, ZINC000035024346

Download	Molfile XML SDF

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Formula

C4H7N4O4

Net Charge

-1

Average Mass

175.125

Monoisotopic Mass

175.04728

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)/p-1

InChIKey

NUCLJNSWZCHRKL-UHFFFAOYSA-M

SMILES

NC(=O)NC(NC(N)=O)C([O-])=O

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	allantoate (CHEBI:17536) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) allantoate (CHEBI:17536) has role human metabolite (CHEBI:77746) allantoate (CHEBI:17536) is a monocarboxylic acid anion (CHEBI:35757) allantoate (CHEBI:17536) is a ureas (CHEBI:47857) allantoate (CHEBI:17536) is conjugate base of allantoic acid (CHEBI:30837)

Incoming	allantoic acid (CHEBI:30837) is conjugate acid of allantoate (CHEBI:17536)

IUPAC Name

bis(carbamoylamino)acetate

Synonyms	Sources
2,2-bis(aminocarbonylamino)ethanoate	PDBeChem
allantoate	UniProt
allantoate ion	PDBeChem
bis(carbamoylamino)acetate	PDBeChem
bis[(aminocarbonyl)amino]acetate	ChEBI
diureidoacetate	ChEBI

Last Modified

12 January 2024