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CHEBI:57361 - 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)

ChEBI IDCHEBI:57361
ChEBI Name6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)
Stars
ASCII Name6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)
DefinitionTetraanion of 6-hydroxycyclohex-1-ene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified17 January 2014
DownloadsMolfile
FormulaC28H40N7O18P3S
Net Charge-4
Average Mass887.648
Monoisotopic Mass887.13853
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)C1=CCCCC1O
InChIInChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,16-17,20-22,26,36,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16?,17-,20-,21-,22+,26-/m1/s1
InChIKeyWBCJUEJWJADAGR-CRVKRRNDSA-J
ChEBI Ontology
Outgoing Relation(s)
6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:57361) is a acyl-CoA(4−) (CHEBI:58342)
6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:57361) is conjugate base of 6-hydroxycyclohex-1-ene-1-carbonyl-CoA (CHEBI:15505)
Incoming Relation(s)
6-hydroxycyclohex-1-ene-1-carbonyl-CoA (CHEBI:15505) is conjugate acid of 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:57361)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(6-hydroxycyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
6-hydroxycyclohex-1-ene-1-carbonyl-CoAUniProt