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 No supplier information found for this compound.
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