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CHEBI:41482 - (R)-carnitinyl-CoA betaine

ChEBI IDCHEBI:41482
ChEBI Name(R)-carnitinyl-CoA betaine
Stars
ASCII Name(R)-carnitinyl-CoA betaine
Last Modified27 January 2011
DownloadsMolfile
FormulaC28H49N8O18P3S
Net Charge0
Average Mass910.727
Monoisotopic Mass910.20984
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[C@@H](O)C[N+](C)(C)C
InChIInChI=1S/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/t16-,17-,21-,22-,23+,27-/m1/s1
InChIKeyBBRISSLDTUHWKG-PVMHLSDZSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(R)-carnitinyl-CoA betaine (CHEBI:41482) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(R)-carnitinyl-CoA betaine (CHEBI:41482) is a ammonium betaine (CHEBI:35284)
(R)-carnitinyl-CoA betaine (CHEBI:41482) is conjugate acid of (R)-carnitinyl-CoA(3−) (CHEBI:60932)
Incoming Relation(s)
(R)-carnitinyl-CoA(3−) (CHEBI:60932) is conjugate base of (R)-carnitinyl-CoA betaine (CHEBI:41482)
Synonyms  Source
L-CARNITINYL-COA INNER SALTPDBeChem
R-carnitinyl-CoA inner saltChEBI
L-carnitinyl-CoA betaineChEBI
Manual XrefsDatabases
CCQPDBeChem