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

CAS: 627-77-0 Cat. No.: D134396 Molecular Weight: 175.19 EC Number: 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

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 |

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488179558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179558
• Canonical Smiles: 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)
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

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

References

1. Xiaorong Hao, Zhehao Sun, Chen Hu, Ziyi Wang, Kangning Wang, Shaokun Chong, Zongyou Yin, Zhengqing Liu, Wei Huang.  (2025)  Chiral-driven synergistic electrolyte engineering for ultrastable aqueous zinc-ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166777]