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SDF/Mol File of Glycine (C2H5NO2)

Identification of Glycine Chemical Compound

2D chemical structure image of glycine
Chemical Formula C2H5NO2
Molecular Weight 75.0666 g/mol
IUPAC Name 2-aminoacetic acid
SMILES String NCC(O)=O
InChI InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKey DHMQDGOQFOQNFH-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of glycine 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 glycine 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 glycine
Ball-and-stick model of glycine

chemical table area

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Input example for Ethanol:

  • 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 Glycine Molecule

  • Chemical structure of glycine

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

  • Molecular weight of glycine

    The molecular weight of glycine is available in molecular weight page of glycine, 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 glycine

    The chemical formula of glycine is given in chemical formula page of glycine, 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 glycine

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

    InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)

    It can provide a standard way to encode the molecular information of glycine 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 glycine is:

    InChIKey=DHMQDGOQFOQNFH-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of glycine

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

    • C-58413
    • EN300-19731
    • BBV-1088329
    • ZX-AFC000793
    • ZX-AFC000739
    • Glycine (JP16/USP)
    • 2311-65-1
    • (15N)Glycine
    • Glycine, puriss. p.a., Reag. Ph. Eur., buffer substance, 99.7-101% (calc. to the dried substance)
    • Glycine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
    • Glycine, meets analytical specification of Ph. Eur., BP, USP, 99-101% (based on anhydrous substance)
    • Glycine, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, >=98.5%
    • GLYCINE N-(2-AMINOETHYL)-N-(2-HYDROXYETHYL)- N-C12-20 ACYL DERIVS. MONOSODIUM SALTS
    • Glycine, analytical standard, for nitrogen determination according to Kjeldahl method
    • Tris-tricine buffer; Tris-glycine buffer;Tris glycine buffer concentrate
    • Glycine, pharmaceutical secondary standard; traceable to USP and PhEur
    • Glycine, United States Pharmacopeia (USP) Reference Standard
    • Glycine, BioUltra, for molecular biology, >=99.0% (NT)
    • Z955123660
    • Glycine, European Pharmacopoeia (EP) Reference Standard
    • F2191-0197
    • Q-201300
    • Glycine, certified reference material, TraceCERT(R)
    • M03001
    • M-6155
    • Aminoacetic acid; Aminoethanoic acid; Glycocoll
    • A20662
    • Glycine, ReagentPlus(R), >=99% (HPLC)
    • Glycine, 0.2M buffer solution, pH 3.5
    • Glycine, 0.2M buffer solution, pH 3.0
    • Glycine, 0.2M buffer solution, pH 2.5
    • Glycine, Vetec(TM) reagent grade, 98%
    • Glycine, ACS, 98.5% min. 100g
    • Glycine, SAJ special grade, >=99.0%
    • Glycine, BioXtra, >=99% (titration)
    • Glycine, BioUltra, >=99.0% (NT)
    • RTC-066530
    • Glycine, for electrophoresis, >=99%
    • Glycine, tested according to Ph.Eur.
    • Glycine, purum, >=98.5% (NT)
    • ANW-32505
    • Glycine, ACS reagent, >=98.5%
    • CPD-8569
    • Glycine 1.5% Irrigation USP Sol
    • Pharmakon1600-01300021
    • Glycine, 98.5-101.5%
    • Glycine, >=99.0% (NT)
    • HMDB00123
    • BDBM18133
    • TE7660XO1C
    • GTPL4635
    • GTPL4084
    • Glycine Irrigation 1.5% USP
    • NChemBio.2007.13-comp1
    • Glycine, Electrophoresis Grade
    • Glycine-UL-14C hydrochloride
    • GTPL727
    • bmse000977
    • Glycine 1.5% Irrigation
    • Glycine|Aminoethanoic acid
    • Glycine, 99%, FCC
    • Glycine (JP17/USP)
    • Glycine (JP15/USP)
    • an alpha amino acid ester
    • Aminoacetic acid,medicinal
    • Glycine, >=99%
    • NH2CH2COOH
    • nchembio.266-comp30
    • nchembio.198-comp12
    • nchembio.145-comp33
    • nchembio.265-comp9
    • nchembio.121-comp9
    • Glycine 1 M solution
    • Corilin (Salt/Mix)
    • [14C]-glycine
    • nchem.554-comp2
    • 2,2-dialkylglycines
    • AR-1A0532
    • AR-1A0345
    • L-alpha-amino acids
    • Glycine, EP/USP
    • [3H]glycine
    • KST-1A8102
    • KST-1A2919
    • amino-Acetic acid
    • Glycine Technical
    • glycine USP
    • Glycine;
    • amino-Acetate
    • Aminoethanoate
    • 87867-94-5
    • 848646-45-7
    • 57678-19-0
    • 52955-63-2
    • CAS-56-40-6
    • B72BA06C-60E9-4A83-A24A-A2D7F465BB65
    • S04-0135
    • 18875-39-3
    • L001246
    • 63183-41-5 (hydrochloride hydrogen carbonate)
    • D00011
    • G0317
    • G0099
    • 35947-07-0 (calcium salt (2:1))
    • Glycine, free base
    • 71295-98-2 (phosphate (1:1))
    • 7490-95-1 (hydrochloride (2:1))
    • 7490-95-1 (hydrochloride (2:1)
    • 6000-44-8 (mono-hydrochloride salt)
    • 513-29-1 (sulfate (3:1))
    • 25718-94-9
    • 15743-44-9 (mono-potassium salt)
    • MFCD00008131
    • 29728-27-6 (monoammonium salt)
    • Athenon
    • AB-131/40217813
    • 33242-26-1 (calcium salt)
    • aminoacetate
    • 32817-15-5 (copper salt)
    • 17829-66-2 (cobalt salt)
    • 2-aminoaceticacid
    • 6000-43-7 (hydrochloride)
    • Glycine iron sulphate (1:1)
    • Glycine, homopolymer (VAN)
    • AMINOACETIC ACID 1.5% IN PLASTIC CONTAINER
    • H2N-CH2-COOH
    • bmse000089
    • GLYCINE, ACS
    • Tocris-0219
    • Glycine, labeled with carbon-14
    • GLYCINE 1.5% IN PLASTIC CONTAINER
    • [14C]glycine
    • Hgly
    • Aminoessigsaeure
    • Glyzin
    • Glykokoll
    • Acidum aminoaceticum [INN-Latin]
    • Acido aminoacetico [INN-Spanish]
    • Acide aminoacetique [INN-French]
    • Acidum aminoaceticum
    • gly
    • Acide aminoacetique
    • FEMA No. 3287
    • Acido aminoacetico
    • Polyglycine II
    • (1-13c)glycinato
    • Glicina
    • Glycine [INN]
    • Glicina [INN-Spanish]
    • Glycinum [INN-Latin]
    • Corilin
    • Glycinum
    • polyglycine
    • GLY (IUPAC abbrev)
    • Sucre de gelatine
    • Glycine, non-medical
    • Gyn-hydralin
    • H-Gly-OH
    • Aminoazijnzuur
    • L-Glycine
    • Acetic acid, amino-
    • Leimzucker
    • Amitone
    • Hampshire glycine
    • Padil
    • Glicoamin
    • Aciport
    • Glycosthene
    • Glycolixir
    • Aminoethanoic acid
    • Glycocoll
    • 56-40-6
    • aminoacetic acid
    • glycine

Glycine Identification Summary Frequently Asked Questions (FAQs)

What’s the glycine formula?
C2H5NO2
How many atoms and what elements are included in the glycine molecule?
10 atom(s) - 5 Hydrogen atom(s), 2 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the glycine structure?
9 bond(s) - 4 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 glycine’s molar mass?
75.0666 g/mol
What’s the SMILES structure of glycine?
NCC(O)=O
What’s the InChI code of glycine?
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
What’s the InChIKey format of glycine?
DHMQDGOQFOQNFH-UHFFFAOYSA-N

1684 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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