CHEBI:138328 - L-firefly luciferyl-CoA(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-firefly luciferyl-CoA(3−)
ChEBI ID CHEBI:138328
ChEBI ASCII Name L-firefly luciferyl-CoA(3-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of L-firefly luciferyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H38N9O18P3S3
Net Charge -4
Average Mass 1025.814
Monoisotopic Mass 1025.07317
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)/p-4/t17-,18+,22+,23+,24-,30+/m0/s1
InChIKey UIZNKBFSRZHFMA-UMHTZZNJSA-J
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
ChEBI Ontology
Outgoing L-firefly luciferyl-CoA(3−) (CHEBI:138328) is a acyl-CoA(4−) (CHEBI:58342)
L-firefly luciferyl-CoA(3−) (CHEBI:138328) is conjugate base of L-firefly luciferyl-CoA (CHEBI:139035)
Incoming L-firefly luciferyl-CoA (CHEBI:139035) is conjugate acid of L-firefly luciferyl-CoA(3−) (CHEBI:138328)
Synonyms Sources
(R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxyl-CoA SUBMITTER
L-firefly luciferyl-CoA UniProt
Manual Xref Database
CPD-20207 MetaCyc
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Citations Types Sources
14695520 PubMed citation SUBMITTER
15850783 PubMed citation SUBMITTER
20526507 PubMed citation SUBMITTER
Last Modified
13 November 2017