CHEBI:76315 - dodecanedioyl-CoA(5−)

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ChEBI Name dodecanedioyl-CoA(5−)
ChEBI ID CHEBI:76315
ChEBI ASCII Name dodecanedioyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of dodecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C33H51N7O19P3S
Net Charge -5
Average Mass 974.78000
Monoisotopic Mass 974.22007
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)/p-5/t21-,26-,27-,28+,32-/m1/s1
InChIKey AWMCEAXIMVYOKU-HTKIKNFPSA-I
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
ChEBI Ontology
Outgoing dodecanedioyl-CoA(5−) (CHEBI:76315) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
dodecanedioyl-CoA(5−) (CHEBI:76315) is conjugate base of dodecanedioyl-CoA (CHEBI:76339)
Incoming dodecanedioyl-CoA (CHEBI:76339) is conjugate acid of dodecanedioyl-CoA(5−) (CHEBI:76315)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatoundecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
dodecanedioyl-CoA UniProt
dodecanedioyl-coenzyme A(5−) SUBMITTER
Last Modified
02 February 2017