CHEBI:76317 - octanedioyl-CoA(5−)

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ChEBI Name octanedioyl-CoA(5−)
ChEBI ID CHEBI:76317
ChEBI ASCII Name octanedioyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of octanedioyl-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 laimo
Supplier Information ZINC000072123495
Download Molfile XML SDF
Formula C29H43N7O19P3S
Net Charge -5
Average Mass 918.67400
Monoisotopic Mass 918.15747
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)/p-5/t17-,22-,23-,24+,28-/m1/s1
InChIKey DBCRIBJPCBKAME-NOQDIWQESA-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)CCCCCCC([O-])=O
ChEBI Ontology
Outgoing octanedioyl-CoA(5−) (CHEBI:76317) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
octanedioyl-CoA(5−) (CHEBI:76317) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
octanedioyl-CoA(5−) (CHEBI:76317) is conjugate base of octanedioyl-CoA (CHEBI:76352)
Incoming octanedioyl-CoA (CHEBI:76352) is conjugate acid of octanedioyl-CoA(5−) (CHEBI:76317)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatoheptanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
octanedioyl-CoA UniProt
octanedioyl-coenzyme A(5−) SUBMITTER
suberoyl-CoA(5−) ChEBI
suberoyl-coenzyme A(5−) ChEBI
Last Modified
02 February 2017