CHEBI:85803 - (R)-ethylmalonyl-CoA

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ChEBI Name (R)-ethylmalonyl-CoA
ChEBI ID CHEBI:85803
ChEBI ASCII Name (R)-ethylmalonyl-CoA
Definition An ω-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (R)-ethylmalonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H42N7O19P3S
Net Charge 0
Average Mass 881.63300
Monoisotopic Mass 881.14690
InChI InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14-,17-,18-,19+,23-/m1/s1
InChIKey VUGZQVCBBBEZQE-XGVFZYDCSA-N
SMILES CC[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (R)-ethylmalonyl-CoA (CHEBI:85803) has functional parent ethylmalonic acid (CHEBI:741548)
(R)-ethylmalonyl-CoA (CHEBI:85803) is a ω-carboxyacyl-CoA (CHEBI:37555)
(R)-ethylmalonyl-CoA (CHEBI:85803) is conjugate acid of (R)-ethylmalonyl-CoA(5−) (CHEBI:85316)
Incoming (R)-ethylmalonyl-CoA(5−) (CHEBI:85316) is conjugate base of (R)-ethylmalonyl-CoA (CHEBI:85803)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2R)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(2R)-ethylmalonyl-CoA ChEBI
(2R)-ethylmalonyl-coenzyme A ChEBI
(R)-ethylmalonyl-coenzyme A ChEBI
Registry Number Type Source
22539666 Reaxys Registry Number Reaxys
Last Modified
21 May 2015