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CHEBI:61623 - fluoroacetyl-CoA(4−)

ChEBI IDCHEBI:61623
ChEBI Namefluoroacetyl-CoA(4−)
Stars
ASCII Namefluoroacetyl-CoA(4-)
DefinitionAn acyl-CoA oxoanion that results from the removal of four protons from the phosphate groups of fluoroacetyl-CoA. Protonated to pH 7.3.
Last Modified11 March 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H33FN7O17P3S
Net Charge-4
Average Mass823.536
Monoisotopic Mass823.08725
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)CF
InChIInChI=1S/C23H37FN7O17P3S/c1-23(2,18(35)21(36)27-4-3-13(32)26-5-6-52-14(33)7-24)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t12-,16-,17-,18+,22-/m1/s1
InChIKeyMXORLDKQFQCTLP-GRFIIANRSA-J
ChEBI Ontology
Outgoing Relation(s)
fluoroacetyl-CoA(4−) (CHEBI:61623) is a acyl-CoA(4−) (CHEBI:58342)
fluoroacetyl-CoA(4−) (CHEBI:61623) is conjugate base of fluoroacetyl-CoA (CHEBI:61646)
Incoming Relation(s)
fluoroacetyl-CoA (CHEBI:61646) is conjugate acid of fluoroacetyl-CoA(4−) (CHEBI:61623)
UniProt Name  Source
fluoroacetyl-CoAUniProt
Manual XrefsDatabases
3P2RPDB
Citations