CHEBI:76316 - decanedioyl-CoA(5−)

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ChEBI Name decanedioyl-CoA(5−)
ChEBI ID CHEBI:76316
ChEBI ASCII Name decanedioyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of decanedioyl-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 C31H47N7O19P3S
Net Charge -5
Average Mass 946.72700
Monoisotopic Mass 946.18877
InChI InChI=1S/C31H52N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t19-,24-,25-,26+,30-/m1/s1
InChIKey JZXNELIZHJCEFA-PVMJKYSESA-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)CCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing decanedioyl-CoA(5−) (CHEBI:76316) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
decanedioyl-CoA(5−) (CHEBI:76316) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
decanedioyl-CoA(5−) (CHEBI:76316) is conjugate base of decanedioyl-CoA (CHEBI:76345)
Incoming decanedioyl-CoA (CHEBI:76345) is conjugate acid of decanedioyl-CoA(5−) (CHEBI:76316)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatononanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
decanedioyl-CoA UniProt
decanedioyl-coenzyme A(5−) SUBMITTER
Last Modified
11 June 2018