CHEBI:76352 - octanedioyl-CoA

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ChEBI Name octanedioyl-CoA
ChEBI ID CHEBI:76352
Definition An α,ω dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of octanedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H48N7O19P3S
Net Charge 0
Average Mass 923.71300
Monoisotopic Mass 923.19385
InChI InChI=1S/C29H48N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h15-17,22-24,28,41-42H,3-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/t17-,22-,23-,24+,28-/m1/s1
InChIKey DBCRIBJPCBKAME-NOQDIWQESA-N
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)CCCCCCC(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing octanedioyl-CoA (CHEBI:76352) has functional parent suberic acid (CHEBI:9300)
octanedioyl-CoA (CHEBI:76352) is a ω-carboxyacyl-CoA (CHEBI:37555)
octanedioyl-CoA (CHEBI:76352) is conjugate acid of octanedioyl-CoA(5−) (CHEBI:76317)
Incoming octanedioyl-CoA(5−) (CHEBI:76317) is conjugate base of octanedioyl-CoA (CHEBI:76352)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyheptanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
octanedioyl-coenzyme A ChEBI
suberoyl-CoA ChEBI
suberoyl-coenzyme A ChEBI
Last Modified
20 November 2013