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CHEBI:85405 - N,N,N-trimethylglycyl-CoA(3−)

ChEBI IDCHEBI:85405
ChEBI NameN,N,N-trimethylglycyl-CoA(3−)
Stars
ASCII NameN,N,N-trimethylglycyl-CoA(3-)
DefinitionA triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of N,N,N-trimethylglycyl-CoA; major species at pH 7.3.
Last Modified28 May 2015
SubmitterEugeni Belda
DownloadsMolfile
FormulaC26H42N8O17P3S
Net Charge-3
Average Mass863.650
Monoisotopic Mass863.16179
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)C[N+](C)(C)C
InChIInChI=1S/C26H45N8O17P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-9-55-17(36)10-34(3,4)5)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,37-38H,6-12H2,1-5H3,(H7-,27,28,29,30,31,35,39,40,41,42,43,44,45,46)/p-3/t15-,19-,20-,21+,25-/m1/s1
InChIKeyYKDFVXJTYIVYPM-ZMHDXICWSA-K
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - PubMed (19406895)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
N,N,N-trimethylglycyl-CoA(3−) (CHEBI:85405) has role bacterial metabolite (CHEBI:76969)
N,N,N-trimethylglycyl-CoA(3−) (CHEBI:85405) is a acyl-CoA oxoanion (CHEBI:58946)
N,N,N-trimethylglycyl-CoA(3−) (CHEBI:85405) is conjugate base of N,N,N-trimethylglycyl-CoA (CHEBI:85888)
Incoming Relation(s)
N,N,N-trimethylglycyl-CoA (CHEBI:85888) is conjugate acid of N,N,N-trimethylglycyl-CoA(3−) (CHEBI:85405)
Synonyms  Source
glycylbetainyl-CoA(3−)ChEBI
glycinebetainyl-CoA(3−)ChEBI
UniProt Name  Source
N,N,N-trimethylglycyl-CoAUniProt
Citations