D-프롤린 - 몰리건드™, ≥98% , CAS No.344-25-2

CAS: 344-25-2 Cat. No.: P140375 분자식: C₅H₉NO₂ 분자량: 115.13 Beilstein Registry Number: 80811 EC 번호: 206-452-7

등급 & 순도 Moligand™, ≥98%

Synonyms

H-D-Pro-OH | (D)-proline | J-300218 | H-Pros-OH | (2R)-pyrrolidine-2-carboxylic acid | AM20090537 | L01Q4LGZ5L | PROLINE, D- | SCHEMBL65555 | (+)-(R)-PROLINE | Q20035962 | R)-2-Carboxypyrrolidine | (R)-PROLINE | D-D-Pro-OH | DTXSID70883367 | GTPL4676 | (R

Storage

Room temperature

Shipped In

보통

사양

동의어

H-D-Pro-OH | (D)-proline | J-300218 | H-Pros-OH | (2R)-pyrrolidine-2-carboxylic acid | AM20090537 | L01Q4LGZ5L | PROLINE, D- | SCHEMBL65555 | (+)-(R)-PROLINE | Q20035962 | R)-2-Carboxypyrrolidine | (R)-PROLINE | D-D-Pro-OH | DTXSID70883367 | GTPL4676 | (R

사양 및 순도

몰리건드™, ≥98%

보관 조건

Room temperature

배송

보통

등급

Moligand™

순수함

≥98%

이름과 식별자

Pubchem Sid

504751776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751776

정식 스마일

C1CC(NC1)C(=O)O

IUPAC Name

(2R)-pyrrolidine-2-carboxylic acid

InChIKey

ONIBWKKTOPOVIA-SCSAIBSYSA-N

INCHI

1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

이성체 SMILES

C1C[C@@H](NC1)C(=O)O

WGK 독일

3

분자량

115.13

Beilstein

80811

Reaxy-Rn

80809

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80809&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: D-alpha-amino acids Pyrrolidine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - D-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Other amino acids

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

관련 대상(인간)

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Discover Target: GRIN1

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관련 대상(비인간)

Staphylococcus aureus (210822 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (1620 g/l at 20 °C), and acetone (slightly). Insoluble in ethanol.
• 특정 회전[α]: 85° (C=4,H2O)
• 녹는점(°C): 223°C
• 분자량: 115.130 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 115.063 Da
• Monoisotopic Mass: 115.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1