Luciferin 3D structure

Luciferin (also called Firefly luciferin, Photinus luciferin) has the formula C11H8N2O3S2 and a molar mass of 280.3 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C11H8N2O3S2
Molar mass
280.3 g/mol
PubChem CID
92934
Heavy atoms
18
Category
Natural products

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESC1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O
PubChem CID92934
Other namesFirefly luciferin, Photinus luciferin, D-Luciferin, D-Luciferin Firefly, D-firefly luciferin

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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