RefMet Compound Details

MW structure50056 (View MW Metabolite Database details)
RefMet nameSuccinyl-CoA
Alternative nameCoA DC4:0
Systematic name3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(
=O)CCC(=O)O)O
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCoA 4:1;O2 View other entries in RefMet with this sum composition
Exact mass867.131264 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC25H40N7O19P3SView other entries in RefMet with this formula
InChIInChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(
40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,4
4)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1
InChIKeyVNOYUJKHFWYWIR-ITIYDSSPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl CoAs
Pubchem CID92133
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Succinyl-CoA

Rxn IDKEGG ReactionEnzyme
R00405 ATP + Succinate + CoA <=> ADP + Orthophosphate + Succinyl-CoASuccinate:CoA ligase (ADP-forming)
R00406 Succinyl-CoA + (S)-Malate <=> Succinate + L-Malyl-CoAsuccinyl-CoA:(S)-malate CoA-transferase
R00432 GTP + Succinate + CoA <=> GDP + Orthophosphate + Succinyl-CoASuccinate:CoA ligase (GDP-forming)
R00727 ITP + Succinate + CoA <=> IDP + Orthophosphate + Succinyl-CoASuccinate:CoA ligase (IDP-forming)
R00833 (R)-Methylmalonyl-CoA <=> Succinyl-CoA(R)-Methylmalonyl-CoA CoA-carbonylmutase
R01197 2 Reduced ferredoxin + Succinyl-CoA + CO2 + 2 H+ <=> 2 Oxidized ferredoxin + 2-Oxoglutarate + CoA2-oxoglutarate:ferredoxin oxidoreductase (decarboxylating)
R08549 2-Oxoglutarate + CoA + NAD+ <=> Succinyl-CoA + CO2 + NADH + H+2-Oxoglutarate dehydrogenase complex
R10343 Succinyl-CoA + Acetate <=> Acetyl-CoA + Succinatesuccinyl-CoA:acetate CoA-transferase

Table of KEGG human pathways containing Succinyl-CoA

Pathway IDHuman Pathway# of reactions
hsa01200 Carbon metabolism 5
hsa00020 Citrate cycle (TCA cycle) 3
hsa00640 Propanoate metabolism 3
hsa01100 Metabolic pathways 3
hsa00280 Valine, leucine and isoleucine degradation 1
hsa00630 Glyoxylate and dicarboxylate metabolism 1
  logo