N-carbamoyl-beta-alanine (CHEBI:18261)

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CHEBI:18261 - N-carbamoyl-β-alanine

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ChEBI Name	N-carbamoyl-β-alanine

ChEBI ID	CHEBI:18261

ChEBI ASCII Name	N-carbamoyl-beta-alanine

Definition	A β-alanine derivative that is propionic acid bearing a ureido group at position 3.

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

Secondary ChEBI IDs	CHEBI:21690, CHEBI:46352, CHEBI:12495, CHEBI:1671

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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Marvin 11150610133D

17 16 0 0 0 0 999 V2000

1.3349 1.8440 -1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0

0.1228 1.3056 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0

0.3533 -0.0928 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0

1.8363 2.8820 -0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0

1.8999 1.2491 -2.2351 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.7797 -0.6133 0.5107 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.8610 -1.7733 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.1206 -2.7114 0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.7380 -1.9578 1.9899 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.2605 1.9808 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6440 1.2424 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1412 -0.0104 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6947 -0.7825 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6580 1.5431 -2.5717 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5318 -0.0580 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7934 -2.7842 2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3122 -1.2634 2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0

2 1 1 0 0 0 0

4 1 2 0 0 0 0

5 1 1 0 0 0 0

3 2 1 0 0 0 0

3 6 1 0 0 0 0

7 6 1 0 0 0 0

8 7 2 0 0 0 0

9 7 1 0 0 0 0

2 10 1 0 0 0 0

2 11 1 0 0 0 0

3 12 1 0 0 0 0

3 13 1 0 0 0 0

5 14 1 0 0 0 0

6 15 1 0 0 0 0

9 16 1 0 0 0 0

9 17 1 0 0 0 0

M END): 50 ms

reading 17 atoms

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1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

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17 atoms created

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Wikipedia	License
β-Carotene (beta-carotene) is an organic, strongly colored red-orange pigment abundant in fungi, plants, and fruits. It is a member of the carotenes, which are terpenoids (isoprenoids), synthesized biochemically from eight isoprene units and thus having 40 carbons. Dietary β-carotene is a provitamin A compound, converting in the body to retinol (vitamin A). In foods, it has rich content in carrots, pumpkin, spinach, and sweet potato. It is used as a dietary supplement and may be prescribed to treat erythropoietic protoporphyria, an inherited condition of sunlight sensitivity. β-carotene is the most common carotenoid in plants. When used as a food coloring, it has the E number E160a.: 119 The structure was deduced in 1930. Isolation of β-carotene from fruits abundant in carotenoids is commonly done using column chromatography. It is industrially extracted from richer sources such as the algae Dunaliella salina. The separation of β-carotene from the mixture of other carotenoids is based on the polarity of a compound. β-Carotene is a non-polar compound, so it is separated with a non-polar solvent such as hexane. Being highly conjugated, it is deeply colored, and as a hydrocarbon lacking functional groups, it is lipophilic.
Read full article at Wikipedia

Formula

C4H8N2O3

Net Charge

Average Mass

132.11800

Monoisotopic Mass

132.05349

InChI

InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)

InChIKey

JSJWCHRYRHKBBW-UHFFFAOYSA-N

SMILES

NC(=O)NCCC(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	N-carbamoyl-β-alanine (CHEBI:18261) has functional parent propionic acid (CHEBI:30768) N-carbamoyl-β-alanine (CHEBI:18261) has role metabolite (CHEBI:25212) N-carbamoyl-β-alanine (CHEBI:18261) has role mouse metabolite (CHEBI:75771) N-carbamoyl-β-alanine (CHEBI:18261) is a β-alanine derivative (CHEBI:22823) N-carbamoyl-β-alanine (CHEBI:18261) is conjugate acid of N-carbamoyl-β-alaninate (CHEBI:11892)

Incoming	N-carbamoyl-β-alaninate (CHEBI:11892) is conjugate base of N-carbamoyl-β-alanine (CHEBI:18261)

IUPAC Names

3-(carbamoylamino)propanoic acid

N-carbamoyl-β-alanine

Synonyms	Sources
3-[(aminocarbonyl)amino]propanoic acid	ChEBI
3-Ureidopropanoate	KEGG COMPOUND
3-ureidopropanoic acid	HMDB
3-Ureidopropionate	KEGG COMPOUND
3-Ureidopropionic acid	HMDB
beta-Ureidopropionic acid	KEGG COMPOUND
N-(AMINOCARBONYL)-BETA-ALANINE	PDBeChem
N-(aminocarbonyl)-β-alanine	ChemIDplus
N-Carbamoyl-beta-alanine	KEGG COMPOUND
N-carbamoyl-beta-alanine	PDBeChem
N-carbamoyl-beta-alanine	ChEBI
Ureidopropanoic acid	ChEBI
Ureidopropionic acid	HMDB

Manual Xrefs	Databases
3-UREIDO-PROPIONATE	MetaCyc
3-Ureidopropionic_acid	Wikipedia
C02642	KEGG COMPOUND
HMDB0000026	HMDB
URP	PDBeChem
View more database links

Registry Numbers	Types	Sources
1705263	Reaxys Registry Number	Reaxys
462-88-4	CAS Registry Number	ChemIDplus
675230	Gmelin Registry Number	Gmelin

Citations	Types	Sources
1536562	PubMed citation	Europe PMC
17190852	PubMed citation	Europe PMC
22770225	PubMed citation	Europe PMC

Last Modified

27 January 2016

CHEBI:18261 - N-carbamoyl-β-alanine

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