CHEBI:17165 - Photinus luciferin

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ChEBI Name Photinus luciferin
ChEBI ID CHEBI:17165
ChEBI ASCII Name Photinus luciferin
Definition A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8172, CHEBI:12731, CHEBI:22004
Supplier Information ZINC000096014974
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Formula C11H8N2O3S2
Net Charge 0
Average Mass 280.32490
Monoisotopic Mass 279.99763
InChI InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1
InChIKey BJGNCJDXODQBOB-SSDOTTSWSA-N
SMILES [H][C@@]1(CSC(=N1)c1nc2ccc(O)cc2s1)C(O)=O
Roles Classification
Chemical Role(s): luciferin
A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): luciferin
A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase.
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ChEBI Ontology
Outgoing Photinus luciferin (CHEBI:17165) has role luciferin (CHEBI:25078)
Photinus luciferin (CHEBI:17165) is a 1,3-thiazolemonocarboxylic acid (CHEBI:48652)
Photinus luciferin (CHEBI:17165) is a benzothiazoles (CHEBI:37947)
Photinus luciferin (CHEBI:17165) is a imidothioate (CHEBI:83991)
Photinus luciferin (CHEBI:17165) is conjugate acid of Photinus luciferin(1−) (CHEBI:58038)
Photinus luciferin (CHEBI:17165) is enantiomer of ent-Photinus luciferin (CHEBI:139036)
Incoming firefly sulfoluciferin (CHEBI:133462) has functional parent Photinus luciferin (CHEBI:17165)
oxidized Photinus luciferin (CHEBI:16792) is a Photinus luciferin (CHEBI:17165)
Photinus luciferin(1−) (CHEBI:58038) is conjugate base of Photinus luciferin (CHEBI:17165)
ent-Photinus luciferin (CHEBI:139036) is enantiomer of Photinus luciferin (CHEBI:17165)
IUPAC Name
(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Synonyms Sources
(S)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylic acid KEGG COMPOUND
(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid KEGG COMPOUND
(S)-4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid ChemIDplus
(S)-4,5-dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid ChemIDplus
Firefly luciferin KEGG COMPOUND
firefly luciferin ChemIDplus
Photinus luciferin KEGG COMPOUND
Manual Xref Database
C02740 KEGG COMPOUND
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Registry Numbers Types Sources
2591-17-5 CAS Registry Number ChemIDplus
30484 Gmelin Registry Number Gmelin
Last Modified
14 November 2017