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

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ChEBI Name 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)
ChEBI ID CHEBI:57361
ChEBI ASCII Name 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)
Definition Tetraanion of 6-hydroxycyclohex-1-ene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H40N7O18P3S
Net Charge -4
Average Mass 887.64000
Monoisotopic Mass 887.13853
InChI InChI=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
InChIKey WBCJUEJWJADAGR-CRVKRRNDSA-J
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)C1=CCCCC1O
ChEBI Ontology
Outgoing 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 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}
Synonym Source
6-hydroxycyclohex-1-ene-1-carbonyl-CoA UniProt
Last Modified
17 January 2014