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CHEBI:138328 - L-firefly luciferyl-CoA(4−)

ChEBI IDCHEBI:138328
ChEBI NameL-firefly luciferyl-CoA(4−)
Stars
ASCII NameL-firefly luciferyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of L-firefly luciferyl-CoA; major species at pH 7.3.
Last Modified14 March 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H38N9O18P3S3
Net Charge-4
Average Mass1025.824
Monoisotopic Mass1025.07317
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1
InChIInChI=1S/C32H42N9O18P3S3/c1-32(2,24(45)27(46)35-6-5-20(43)34-7-8-63-31(47)17-11-64-28(40-17)29-39-16-4-3-15(42)9-19(16)65-29)12-56-62(53,54)59-61(51,52)55-10-18-23(58-60(48,49)50)22(44)30(57-18)41-14-38-21-25(33)36-13-37-26(21)41/h3-4,9,13-14,17-18,22-24,30,42,44-45H,5-8,10-12H2,1-2H3,(H,34,43)(H,35,46)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-4/t17-,18+,22+,23+,24-,30+/m0/s1
InChIKeyUIZNKBFSRZHFMA-UMHTZZNJSA-J
ChEBI Ontology
Outgoing Relation(s)
L-firefly luciferyl-CoA(4−) (CHEBI:138328) is a acyl-CoA(4−) (CHEBI:58342)
L-firefly luciferyl-CoA(4−) (CHEBI:138328) is conjugate base of L-firefly luciferyl-CoA (CHEBI:139035)
Incoming Relation(s)
L-firefly luciferyl-CoA (CHEBI:139035) is conjugate acid of L-firefly luciferyl-CoA(4−) (CHEBI:138328)
Synonym  Source
(R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxyl-CoASUBMITTER
UniProt Name  Source
L-firefly luciferyl-CoAUniProt
Manual XrefsDatabases
CPD-20207MetaCyc
Citations