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CHEBI:138329 - ent-Photinus luciferin(1−)

ChEBI IDCHEBI:138329
ChEBI Nameent-Photinus luciferin(1−)
Stars
ASCII Nameent-Photinus luciferin(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of ent-Photinus luciferin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified7 February 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H7N2O3S2
Net Charge-1
Average Mass279.322
Monoisotopic Mass278.99036
SMILESO=C([O-])[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1
InChIInChI=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)/p-1/t7-/m0/s1
InChIKeyBJGNCJDXODQBOB-ZETCQYMHSA-M
ChEBI Ontology
Outgoing Relation(s)
ent-Photinus luciferin(1−) (CHEBI:138329) is a monocarboxylic acid anion (CHEBI:35757)
ent-Photinus luciferin(1−) (CHEBI:138329) is conjugate base of ent-Photinus luciferin (CHEBI:139036)
ent-Photinus luciferin(1−) (CHEBI:138329) is enantiomer of Photinus luciferin(1−) (CHEBI:58038)
Incoming Relation(s)
ent-Photinus luciferin (CHEBI:139036) is conjugate acid of ent-Photinus luciferin(1−) (CHEBI:138329)
Photinus luciferin(1−) (CHEBI:58038) is enantiomer of ent-Photinus luciferin(1−) (CHEBI:138329)
IUPAC Name 
(4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Synonyms  Source
(R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylateSUBMITTER
L-Photinus luciferin(1−)ChEBI
L-firefly luciferin(1−)ChEBI
UniProt Name  Source
firefly L-luciferinUniProt
Manual XrefsDatabases
CPD-20206MetaCyc
Citations