CHEBI:139035 - L-firefly luciferyl-CoA

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ChEBI Name L-firefly luciferyl-CoA ChEBI ID CHEBI:139035 ChEBI ASCII Name L-firefly luciferyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-firefly luciferin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H42N9O18P3S3 Net Charge 0 Average Mass 1029.846 Monoisotopic Mass 1029.10228 InChI InChI=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 InChIKey UIZNKBFSRZHFMA-UMHTZZNJSA-N SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H]4N=C(SC4)C5=NC6=C(S5)C=C(C=C6)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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(3−) (CHEBI:138328) Incoming L-firefly luciferyl-CoA(3−) (CHEBI:138328) is conjugate base of L-firefly luciferyl-CoA (CHEBI:139035) Synonyms Sources (R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxy-CoA ChEBI (R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxy-coenzyme A ChEBI L-firefly luciferyl-coenzyme A ChEBI Manual Xref Database CPD-20207 MetaCyc View more database links Citation Type Source 14695520 PubMed citation Europe PMC Last Modified 14 November 2017