SDF/Mol File of L-alanine (C3H7NO2)
Identification of L-alanine Chemical Compound
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.
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- 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
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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.
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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.
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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.
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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.
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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? |
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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 |
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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).