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CHEBI:85316 - (R)-ethylmalonyl-CoA(5−)

ChEBI IDCHEBI:85316
ChEBI Name(R)-ethylmalonyl-CoA(5−)
Stars
ASCII Name(R)-ethylmalonyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of (2R)-ethylmalonyl-CoA; major species at pH 7.3.
Last Modified2 February 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H37N7O19P3S
Net Charge-5
Average Mass876.601
Monoisotopic Mass876.11052
SMILESCC[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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)/p-5/t13-,14-,17-,18-,19+,23-/m1/s1
InChIKeyVUGZQVCBBBEZQE-XGVFZYDCSA-I
ChEBI Ontology
Outgoing Relation(s)
(R)-ethylmalonyl-CoA(5−) (CHEBI:85316) is a carboxylic acid anion (CHEBI:29067)
(R)-ethylmalonyl-CoA(5−) (CHEBI:85316) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
(R)-ethylmalonyl-CoA(5−) (CHEBI:85316) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
(R)-ethylmalonyl-CoA(5−) (CHEBI:85316) is conjugate base of (R)-ethylmalonyl-CoA (CHEBI:85803)
Incoming Relation(s)
(R)-ethylmalonyl-CoA (CHEBI:85803) is conjugate acid of (R)-ethylmalonyl-CoA(5−) (CHEBI:85316)
UniProt Name  Source
(2R)-ethylmalonyl-CoAUniProt
Manual XrefsDatabases
CPD-17635MetaCyc