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04. Bioactive Capabilities of Specific Chemicals
04. Bioactive Capabilities of Specific Chemicals
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
08. Chemical Category
08. Chemical Category
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
3-oxo-5,6-dehydrosuberyl-CoA(5-) [CHEBI:63255] (1)
ChEBI Compound Accession Identifier :
[CHEBI:63255]
ChEBI Compound Description :
"An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of 3-oxo-5,6-dehydrosuberyl-CoA; major species at pH 7.3."
ChEBI Compound Identification Number :
63255
ChEBI InChI Value :
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)/p-5/t17-,22-,23-,24+,28-/m1/s1
ChEBI InChIKey Value :
IFFFDKYRRUVOFP-NOQDIWQESA-I
ChEBI Compound Name :
3-oxo-5,6-dehydrosuberyl-CoA(5-)
ChEBI SMILES Value :
[H]C(CC([O-])=O)=C([H])CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
ChEBI Substance ID :
135610460
ChEBI URL :
ChEBI:63255
ChemSpider ID :
NS
Ontomatica Chemical Accession Key (OnChAKey) :
IFFFDKYRRUVOFP_NOQDIWQESA_I_000_000000
PubChem Compound ID :
56927776