3-oxo-5,6-dehydrosuberyl-CoA

More details:

• Systematic name

  5'-O-[{[{[(3R,4Z)-4-({(3Z)-3-[(2-{[(5E)-7-Carboxy-3-oxo-5-heptenoyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosi ne 3'-(dihydrogen phosphate)

• SMILES

  [H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CC=CCC(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](/C(=N/CC/C(=N/CCSC(=O)CC(=O)C/C=C/CC(=O)O)/O)/O)O

• Std. InChi

  InChI=1S/C29H44N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h3-4,14-15,17,22-24,28,42-43H,5-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/b4-3+/t17-,22-,23-,24+,28-/m1/s1

• Std. InChIKey

  IFFFDKYRRUVOFP-HURBHMQQSA-N

• Cite this record

  CSID:59695454, http://www.chemspider.com/Chemical-Structure.59695454.html (accessed 21:47, Apr 19, 2024)