CHEBI:15474 - 2-furoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-furoyl-CoA
ChEBI ID CHEBI:15474
Definition An acyl-CoA having 2-furoyl as the S-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11578, CHEBI:1102, CHEBI:19584
Supplier Information
Download Molfile XML SDF
Formula C26H38N7O18P3S
Net Charge 0
Average Mass 861.60358
Monoisotopic Mass 861.12069
InChI InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1
InChIKey IIKOXWXMCPEVLL-DJVIHCHSSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccco1
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 2-furoyl-CoA (CHEBI:15474) has functional parent 2-furoic acid (CHEBI:30845)
2-furoyl-CoA (CHEBI:15474) has functional parent coenzyme A (CHEBI:15346)
2-furoyl-CoA (CHEBI:15474) is a acyl-CoA (CHEBI:17984)
2-furoyl-CoA (CHEBI:15474) is conjugate acid of 2-furoyl-CoA(4−) (CHEBI:57333)
Incoming 5-hydroxy-2-furoyl-CoA (CHEBI:15510) has functional parent 2-furoyl-CoA (CHEBI:15474)
2-furoyl-CoA(4−) (CHEBI:57333) is conjugate base of 2-furoyl-CoA (CHEBI:15474)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-Furoyl-CoA KEGG COMPOUND
2-furoyl-coenzyme A ChEBI
2-furylformyl-CoA ChEBI
Manual Xref Database
C00845 KEGG COMPOUND
View more database links
Registry Number Type Source
20380491 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16347977 PubMed citation Europe PMC
2170335 PubMed citation Europe PMC
4318274 PubMed citation Europe PMC
4655411 PubMed citation Europe PMC
Last Modified
04 August 2014