cyclohexa-2,5-diene-1-carbonyl-CoA (Q27103224)

Cyclohex-2,5-dienecarbonyl-CoA (English)

5 October 2016

chemical formula

C₂₈H₄₂N₇O₁₇P₃S

1 reference

Cyclohex-2,5-dienecarbonyl-CoA (English)

5 October 2016

canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4C=CCC=C4)O

1 reference

Cyclohex-2,5-dienecarbonyl-CoA (English)

5 October 2016

isomeric SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4C=CCC=C4)O

1 reference

Cyclohex-2,5-dienecarbonyl-CoA (English)

InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4-7,14-17,20-22,26,37-38H,3,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Cyclohex-2,5-dienecarbonyl-CoA (English)

GHVYLQATKJQWLV-TYHXJLICSA-N

5 October 2016

InChIKey

2 references

Cyclohex-2,5-dienecarbonyl-CoA (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

5 October 2016

1 reference