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CHEBI:139035 - L-firefly luciferyl-CoA

ChEBI IDCHEBI:139035
ChEBI NameL-firefly luciferyl-CoA
Stars
ASCII NameL-firefly luciferyl-CoA
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-firefly luciferin.
Last Modified14 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC32H42N9O18P3S3
Net Charge0
Average Mass1029.856
Monoisotopic Mass1029.10228
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)/t17-,18+,22+,23+,24-,30+/m0/s1
InChIKeyUIZNKBFSRZHFMA-UMHTZZNJSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
L-firefly luciferyl-CoA (CHEBI:139035) has functional parent ent-Photinus luciferin (CHEBI:139036)
L-firefly luciferyl-CoA (CHEBI:139035) is a acyl-CoA (CHEBI:17984)
L-firefly luciferyl-CoA (CHEBI:139035) is conjugate acid of L-firefly luciferyl-CoA(4−) (CHEBI:138328)
Incoming Relation(s)
L-firefly luciferyl-CoA(4−) (CHEBI:138328) is conjugate base of L-firefly luciferyl-CoA (CHEBI:139035)
Synonyms  Source
L-firefly luciferyl-coenzyme AChEBI
(R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxy-coenzyme AChEBI
(R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxy-CoAChEBI
Manual XrefsDatabases
CPD-20207MetaCyc
Citations