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DL-Citrulline - 10mM in Water, high purity , CAS No.627-77-0
Cas Number: 627-77-0
Molecular Weight: 175.19
PubChem CID:
833
Basic Description
Synonyms
DL-Citrulline | 627-77-0 | 2-Amino-5-ureidopentanoic acid | Citrullin | 2-amino-5-(carbamoylamino)pentanoic acid | DL-2-Amino-5-ureidovaleric acid | citrulina | CITRULLINE, (DL) | CHEBI:18211 | Ornithine, N5-carbamoyl-, DL- | DL-Ornithine, N5-(aminocarbonyl)- | H-D-Orn(carbamo
Specifications & Purity
10mM in Water
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acids
Alternative Parents
Fatty acids and conjugates Ureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid - Fatty acid - Carbonic acid derivative - Amino acid - Urea - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
citrullines
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-amino-5-(carbamoylamino)pentanoic acid
INCHI
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
InChIKey
RHGKLRLOHDJJDR-UHFFFAOYSA-N
Smiles
C(CC(C(=O)O)N)CNC(=O)N
Isomeric SMILES
C(CC(C(=O)O)N)CNC(=O)N
Molecular Weight
175.19
Reaxy-Rn
1725417
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725417&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
175.190 g/mol
XLogP3
-4.300
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
175.096 Da
Monoisotopic Mass
175.096 Da
Topological Polar Surface Area
118.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
171.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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