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CHEBI:57333 - 2-furoyl-CoA(4−)

ChEBI IDCHEBI:57333
ChEBI Name2-furoyl-CoA(4−)
Stars
ASCII Name2-furoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of 2-furoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified10 February 2017
DownloadsMolfile
FormulaC26H34N7O18P3S
Net Charge-4
Average Mass857.578
Monoisotopic Mass857.09158
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)c1ccco1
InChIInChI=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)/p-4/t15-,18-,19-,20+,24-/m1/s1
InChIKeyIIKOXWXMCPEVLL-DJVIHCHSSA-J
ChEBI Ontology
Outgoing Relation(s)
2-furoyl-CoA(4−) (CHEBI:57333) is a acyl-CoA(4−) (CHEBI:58342)
2-furoyl-CoA(4−) (CHEBI:57333) is conjugate base of 2-furoyl-CoA (CHEBI:15474)
Incoming Relation(s)
2-furoyl-CoA (CHEBI:15474) is conjugate acid of 2-furoyl-CoA(4−) (CHEBI:57333)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2-furoyl-coenzyme A(4−)ChEBI
2-furylformyl-CoA(4−)ChEBI
2-furoyl-coenzyme A tetraanionChEBI
UniProt Name  Source
2-furoyl-CoAUniProt