DL-Citrulline - ≥98%(HPLC) , CAS No.627-77-0

CAS: 627-77-0 Cat. No.: D134396 Formula: C₆H₁₃N₃O₃ Peso molecolare: 175.19 Numero EC: 211-012-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

.alpha.-Amino-.delta.-ureidovaleric acid | C6H13N3O3 | UNII-1OYO2NV4NM | Ornithine, N5-carbamoyl-, DL- | Spectrum4_001185 | STK802460 | H-Orn(carbamoyl)-OH;L-Citrulline | to_000034 | Citrulline,(l) | Epitope ID:141797 | FT-0625451 | NSC46711 | NSC-46711 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

.alpha.-Amino-.delta.-ureidovaleric acid | C6H13N3O3 | UNII-1OYO2NV4NM | Ornithine, N5-carbamoyl-, DL- | Spectrum4_001185 | STK802460 | H-Orn(carbamoyl)-OH;L-Citrulline | to_000034 | Citrulline,(l) | Epitope ID:141797 | FT-0625451 | NSC46711 | NSC-46711 |

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

488179558

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179558

Sorrisi canonici

C(CC(C(=O)O)N)CNC(=O)N

IUPAC Name

2-amino-5-(carbamoylamino)pentanoic acid

InChIKey

RHGKLRLOHDJJDR-UHFFFAOYSA-N

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)

Isomeri SMILES

C(CC(C(=O)O)N)CNC(=O)N

Peso molecolare

175.19

Reaxy-Rn

1725417

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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