CHEBI:76339 - dodecanedioyl-CoA

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ChEBI Name dodecanedioyl-CoA
ChEBI ID CHEBI:76339
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 dodecanedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H56N7O19P3S
Net Charge 0
Average Mass 979.82000
Monoisotopic Mass 979.25645
InChI InChI=1S/C33H56N7O19P3S/c1-33(2,28(46)31(47)36-14-13-22(41)35-15-16-63-24(44)12-10-8-6-4-3-5-7-9-11-23(42)43)18-56-62(53,54)59-61(51,52)55-17-21-27(58-60(48,49)50)26(45)32(57-21)40-20-39-25-29(34)37-19-38-30(25)40/h19-21,26-28,32,45-46H,3-18H2,1-2H3,(H,35,41)(H,36,47)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t21-,26-,27-,28+,32-/m1/s1
InChIKey AWMCEAXIMVYOKU-HTKIKNFPSA-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)CCCCCCCCCCC(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 dodecanedioyl-CoA (CHEBI:76339) has functional parent dodecanedioic acid (CHEBI:4676)
dodecanedioyl-CoA (CHEBI:76339) is a ω-carboxyacyl-CoA (CHEBI:37555)
dodecanedioyl-CoA (CHEBI:76339) is conjugate acid of dodecanedioyl-CoA(5−) (CHEBI:76315)
Incoming dodecanedioyl-CoA(5−) (CHEBI:76315) is conjugate base of dodecanedioyl-CoA (CHEBI:76339)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyundecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
11-carboxyundecanoyl-CoA ChEBI
11-carboxyundecanoyl-coenzyme A ChEBI
dodecanedioyl-coenzyme A ChEBI
Last Modified
20 November 2013