Lysozyme

CAS 12650-88-3  ·  C99H159N37O23  ·  MW 2235.6 g/mol

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3D model Lysozyme, CAS 12650-88-3, molecular formula C99H159N37O23, molar mass 2235.6 g/mol
About Lysozyme

Lysozyme is a chemical compound registered under number CAS 12650-88-3, with the molecular formula C99H159N37O23, and a molar mass of 2235.6 g/mol.

The molecule contains 318 atoms connected by 322 chemical bonds. The full systematic IUPAC name of this compound is 2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -7.4 (negative value, a hydrophilic compound), polar surface area PSA = 1010 Ų, 38 donors and 29 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC99H159N37O23
Molar mass2235.6 g/mol
IUPAC2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[2-[[2-[[2-[[2-[[5-amino-2-[[1-[2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid
SMILESCCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C5CCCN5C(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)N
InChIKeyZJCXKXFAOCLSRV-UHFFFAOYSA-N
logP (XLogP3)-7.4
PSA1010 Ų
HBD / HBA38 / 29
PubChem CIDCID 91976556 ↗
GHS safety

Signal word: Danger

GHS08
GHS08

H334 — May cause allergy or asthma symptoms or breathing difficulties if inhaled

Scientific literature

Brak articles naukowych dla CAS 12650-88-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
12650-88-3 · LYSOZYME · Lysozyme (chicken egg white) · Delvozyme · Hen Muramidase · Lysozyme G · Hen Egg Lysozyme · Lysozyme (DCF) · N,ODiacetylmuramidase · N-ACETYLMURAMIDE GLYCANOHYDROLASE · NAcetylmuramyl hydrolase · LYSOZYME [INCI] · LYSOZYME [MI] · Mucopeptide glucohydrolase · RefChem:800220
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 + wspolrzedne losowe conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

23 stereo element(s) undefined in the source record (18 stereocentre(s), 5 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/91976556
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Identity note. The structure behind this model is PubChem CID 91976556, which PubChem titles “Lysozyme” and returns for CAS 12650-88-3. That record describes a peptide, C99H159N37O23 (2235.6 g/mol). Lysozyme C of the chicken (Gallus gallus) is a protein whose mature chain spans residues 19–147 of the precursor, i.e. 129 amino-acid residues (UniProt P00698). This 3-D model therefore shows the peptide of that PubChem record, not the lysozyme protein.
Lysozyme (CAS 12650-88-3), C99H159N37O23 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

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Lysozyme (CAS 12650-88-3), C99H159N37O23 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Lysozyme · 12650-88-3
InChIKey
ZJCXKXFAOCLSRV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Lysozyme (CAS 12650-88-3)
License & provenance record
Lysozyme (CAS 12650-88-3) →
MolGod molecule record
Lysozyme →
Source data
PubChem CID 91976556 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-16
SHA-256 (STL)
d23ad1dae54c76fe20172bc6e40dbb1fe8fc7f8a6325fd5620059d2ed57d2ce8
MD5 (STL)
71c8f6f03dc81dfae56a49385f5fbf21
Model identifier
MG-STL-12650-88-3
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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