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CHEBI:61796 - dinoflagellate luciferin(1−)

ChEBI IDCHEBI:61796
ChEBI Namedinoflagellate luciferin(1−)
Stars
ASCII Namedinoflagellate luciferin(1-)
DefinitionThe linear tetrapyrrole anion that is dinoflagellate luciferin protonated to pH 7.3.
Last Modified15 April 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H39N4O6
Net Charge-1
Average Mass587.697
Monoisotopic Mass587.28751
SMILES[H][C@]1(C(=O)[O-])[NH2+]/C(=C2/CC(=O)c3c2nc(Cc2nc(CC4NC(=O)C(C)=C4C=C)c(C)c2CC)c3C)[C@@H](CCC(=O)[O-])[C@@H]1C
InChIInChI=1S/C33H40N4O6/c1-7-18-14(3)22(12-25-19(8-2)16(5)32(41)36-25)34-24(18)13-23-17(6)28-26(38)11-21(31(28)35-23)30-20(9-10-27(39)40)15(4)29(37-30)33(42)43/h8,15,20,25,29,34-35,37H,2,7,9-13H2,1,3-6H3,(H,36,41)(H,39,40)(H,42,43)/p-1/b30-21-/t15-,20-,25?,29-/m0/s1
InChIKeyQUHVVVWAQMRCSJ-IXXPHHLHSA-M
ChEBI Ontology
Outgoing Relation(s)
dinoflagellate luciferin(1−) (CHEBI:61796) is a linear tetrapyrrole anion (CHEBI:59252)
dinoflagellate luciferin(1−) (CHEBI:61796) is conjugate acid of dinoflagellate luciferin(2−) (CHEBI:61706)
dinoflagellate luciferin(1−) (CHEBI:61796) is conjugate base of dinoflagellate luciferin (CHEBI:61702)
Incoming Relation(s)
dinoflagellate luciferin (CHEBI:61702) is conjugate acid of dinoflagellate luciferin(1−) (CHEBI:61796)
dinoflagellate luciferin(2−) (CHEBI:61706) is conjugate base of dinoflagellate luciferin(1−) (CHEBI:61796)
IUPAC Name 
(2S,3S,4S,5Z)-4-(2-carboxylatoethyl)-5-[2-({5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl}methyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-3-methylpyrrolidinium-2-carboxylate
UniProt Name  Source
dinoflagellate luciferinUniProt