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SDF/Mol File of L-alanine (C3H7NO2)

Identification of L-alanine Chemical Compound

2D chemical structure image of L-alanine
Chemical Formula C3H7NO2
Molecular Weight 89.09318 g/mol
IUPAC Name (2S)-2-aminopropanoic acid
SMILES String CC(N)C(O)=O
InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of L-alanine is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of L-alanine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of L-alanine
Ball-and-stick model of L-alanine

chemical table area

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying L-alanine Molecule

  • Chemical structure of L-alanine

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of L-alanine is available in chemical structure page of L-alanine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of L-alanine

    The molecular weight of L-alanine is available in molecular weight page of L-alanine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of L-alanine

    The chemical formula of L-alanine is given in chemical formula page of L-alanine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of L-alanine

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of L-alanine is:

    InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

    It can provide a standard way to encode the molecular information of L-alanine to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of L-alanine is:

    InChIKey=QNAYBMKLOCPYGJ-REOHCLBHSA-N

    The InChIKey may allow easier web searches for L-alanine, but it needs to be linked to the full InChI to get back to the original structure of the L-alanine since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of L-alanine

    The L-alanine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of L-alanine including the registry numbers are listed below, if available:

    • T7107093
    • EN300-52621
    • BBV-38372414
    • ZX-AFC000752
    • L-Alanine (JP16)
    • L-Alanine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=98.5%
    • L-Alanine, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
    • 77160-91-9
    • L-Alanine, pharmaceutical secondary standard; traceable to USP and PhEur
    • L-Alanine, United States Pharmacopeia (USP) Reference Standard
    • Z940713326
    • F0001-2354
    • Alanine, European Pharmacopoeia (EP) Reference Standard
    • 3B1-008007
    • L-Alanine, certified reference material, TraceCERT(R)
    • (S)-2-Aminopropionic acid; L-|A-Aminopropionic acid
    • SR-01000597687-3
    • Q-201274
    • J-015860
    • A803529
    • M-5982
    • PROPOXY, 2-AMINO-1-OXO-, (2S)-
    • ETHYL, 2-AMINO-2-CARBOXY-, (S)-
    • L-Alanine, SAJ special grade, >=99.0%
    • L-Alanine, BioUltra, >=99.5% (NT)
    • 26336-61-8
    • L-Alanine, purum, >=98.0% (NT)
    • RTC-066531
    • L-(-)-2-AMINOPROPANOIC ACID
    • BDBM50000099
    • ANW-32509
    • L-Alanine, >=99.0% (NT)
    • L-Alanine, 99%, natural, FG
    • L-Alanine, >=98% (TLC)
    • L-Alanine, Cell Culture Reagent
    • L-ALANINE DEXTRO-ROTATORY
    • HMDB00161
    • GTPL4543
    • GTPL4542
    • (2S)-2-azanylpropanoic acid
    • (S)-2-amino-Propanoic acid
    • GTPL720
    • OF5P57N2ZX
    • L-CH3CH(NH2)COOH
    • bmse000994
    • L-Alanine, >=99%
    • H-L-ALA-OH
    • L-|A-Aminopropionic acid
    • (S)-2-amino-Propanoate
    • L-ALA-OH
    • alpha-Aminopropanoic acid
    • nchembio.145-comp31
    • (S)-2-Aminopropanoate
    • L-Alanine (JP17)
    • ALA-OH
    • 2-Ammoniopropanoic acid
    • L-alpha-Aminopropionate
    • nchembio.255-comp3
    • nchembio.237-comp9
    • [14C]-alanine
    • nchem.554-comp3
    • L-Alanine (JAN)
    • nchembio816-comp4
    • L-2-Aminopropionate
    • L-2-Aminopropanoate
    • AR-1J2938
    • alpha-Aminopropionate
    • alpha-Aminopropanoate
    • [3H]-alanine
    • [14C]alanine
    • L-Ala
    • L-a-Aminopropionate
    • [3H]alanine
    • a-Aminopropionate
    • alanine,
    • Ritalanine
    • L-.alpha.-Aminopropionic acid
    • .alpha.-Aminopropionic acid
    • L-ALANINE U.S.P.
    • Propanoic acid, 2-amino-
    • 2-Ammoniopropanoate
    • 2-Aminopropionate
    • 787635-21-6
    • 759445-89-1
    • 170805-71-7
    • L-.alpha.-Alanine
    • F4F207FF-8FF8-4789-99A1-147AE0A36673
    • .alpha.-Alanine
    • I04-1136
    • 6898-94-8
    • 25191-17-7
    • 18875-37-1
    • 130380-93-7
    • 115967-49-2
    • D00012
    • A0179
    • LPG
    • MFCD00064410
    • Propanoic acid, 2-amino-, (S)
    • L-Alanine, labeled with tritium
    • Alanine, L- (7CI,8CI)
    • bmse000028
    • L-Alanine, labeled with carbon-14
    • Tocris-0205
    • L-Alanine, N-coco alkyl derivs.
    • L-Alanine, homopolymer
    • (S)-()-Alanine
    • L-Alanine (9CI)
    • AmbotzHAA1066
    • Alanine (USP)
    • L-&alpha-alanine
    • (C14)L-Alanine
    • a-Aminopropionic acid
    • 14C-L-Alanine
    • (S)-2-Aminopropionic acid
    • L-a-Alanine
    • L-Alanin
    • Poly-DL-alanine
    • L-a-Aminopropionic acid
    • Propanoic acid, 2-amino-, (S)-
    • Alanine [USAN:INN]
    • ALA
    • a-Alanine
    • Alaninum
    • polyalanine
    • alanina
    • Alanina [DCIT,Spanish]
    • (S)-alpha-Aminopropionsaeure
    • Poly-L-alanine
    • (S)-2-Aminopropionsaeure
    • ALANINE, L-
    • alpha-Alanine
    • Alanine (VAN)
    • (L)-Alanine
    • L-S-Aminopropionic acid
    • (S)-(+)-Alanine
    • Alaninum [Latin]
    • 2-Aminopropanoic acid, L-
    • L-2-Aminopropionsaeure
    • alpha-Aminopropionic acid
    • L-alpha-Aminopropionic acid
    • 2-Aminopropionic acid
    • L-2-Aminopropanoic acid
    • H-Ala-OH
    • L-(+)-Alanine
    • L-2-Aminopropionic acid
    • L-alpha-alanine
    • alanine
    • (S)-2-Aminopropanoic acid
    • (S)-Alanine
    • 56-41-7
    • L-alanine

L-alanine Identification Summary Frequently Asked Questions (FAQs)

What’s the L-alanine formula?
C3H7NO2
How many atoms and what elements are included in the L-alanine molecule?
13 atom(s) - 7 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the L-alanine structure?
12 bond(s) - 5 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic), and 1 hydroxyl group(s)
What’s the L-alanine’s molar mass?
89.09318 g/mol
What’s the SMILES structure of L-alanine?
CC(N)C(O)=O
What’s the InChI code of L-alanine?
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
What’s the InChIKey format of L-alanine?
QNAYBMKLOCPYGJ-REOHCLBHSA-N

1203 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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