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CHEBI:76339 - dodecanedioyl-CoA

ChEBI IDCHEBI:76339
ChEBI Namedodecanedioyl-CoA
Stars
DefinitionAn 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.
Last Modified20 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC33H56N7O19P3S
Net Charge0
Average Mass979.830
Monoisotopic Mass979.25645
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCC(=O)O
InChIInChI=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
InChIKeyAWMCEAXIMVYOKU-HTKIKNFPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
dodecanedioyl-coenzyme AChEBI
11-carboxyundecanoyl-CoAChEBI
11-carboxyundecanoyl-coenzyme AChEBI