EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61708 - oxidized dinoflagellate luciferin(2−)

ChEBI IDCHEBI:61708
ChEBI Nameoxidized dinoflagellate luciferin(2−)
Stars
ASCII Nameoxidized dinoflagellate luciferin(2-)
DefinitionA dicarboxylic acid dianion that results from the removal of a proton from each of the carboxylic acid groups of oxidized dinoflagellate luciferin.
Last Modified6 April 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC33H36N4O7
Net Charge-2
Average Mass600.672
Monoisotopic Mass600.25950
SMILES[H][C@]1(C(=O)[O-])N/C(=C2/C(=O)C(=O)c3c2nc(Cc2nc(CC4NC(=O)C(C)=C4C=C)c(C)c2CC)c3C)[C@@H](CCC(=O)[O-])[C@@H]1C
InChIInChI=1S/C33H38N4O7/c1-7-17-13(3)20(11-23-18(8-2)15(5)32(42)36-23)34-22(17)12-21-16(6)25-29(35-21)26(31(41)30(25)40)28-19(9-10-24(38)39)14(4)27(37-28)33(43)44/h8,14,19,23,27,34-35,37H,2,7,9-12H2,1,3-6H3,(H,36,42)(H,38,39)(H,43,44)/p-2/b28-26+/t14-,19-,23?,27-/m0/s1
InChIKeyRHKAAOSSVJEZNU-LHYWXDRZSA-L
ChEBI Ontology
Outgoing Relation(s)
oxidized dinoflagellate luciferin(2−) (CHEBI:61708) is a dicarboxylic acid dianion (CHEBI:28965)
oxidized dinoflagellate luciferin(2−) (CHEBI:61708) is conjugate base of oxidized dinoflagellate luciferin (CHEBI:61707)
Incoming Relation(s)
oxidized dinoflagellate luciferin (CHEBI:61707) is conjugate acid of oxidized dinoflagellate luciferin(2−) (CHEBI:61708)
IUPAC Name 
(1S,2S,3S)-1-carboxylato-3-(2-carboxylatoethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-1,2,3,21-tetrahydro-5,7-ethanobilene-a-19(16H),51,52-trione
Synonyms  Source
oxidised dinoflagellate luciferin(2−)ChEBI
(2S,3S,4S,5E)-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-4,5-dioxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-3-methyl-L-prolinateIUPAC
(2S,3S,4S,5E)-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-4,5-dioxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-3-methylpyrrolidine-2-carboxylateIUPAC
UniProt Name  Source
oxidized dinoflagellate luciferinUniProt
Manual XrefsDatabases
CPD-13068MetaCyc