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CHEBI:57378 - glutaryl-CoA(5−)

ChEBI IDCHEBI:57378
ChEBI Nameglutaryl-CoA(5−)
Stars
ASCII Nameglutaryl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of glutaryl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified2 February 2017
DownloadsMolfile
FormulaC26H37N7O19P3S
Net Charge-5
Average Mass876.601
Monoisotopic Mass876.11052
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)[O-]
InChIInChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t14-,19-,20-,21+,25-/m1/s1
InChIKeySYKWLIJQEHRDNH-CKRMAKSASA-I
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
glutaryl-CoA(5−) (CHEBI:57378) has role human metabolite (CHEBI:77746)
glutaryl-CoA(5−) (CHEBI:57378) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
glutaryl-CoA(5−) (CHEBI:57378) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
glutaryl-CoA(5−) (CHEBI:57378) is conjugate base of glutaryl-CoA (CHEBI:15524)
Incoming Relation(s)
glutaryl-CoA (CHEBI:15524) is conjugate acid of glutaryl-CoA(5−) (CHEBI:57378)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxylatobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
4-carboxylatobutanoyl-CoA(5−)ChEBI
glutaryl-CoA pentaanionChEBI
glutaryl-coenzyme A(5−)ChEBI
UniProt Name  Source
glutaryl-CoAUniProt