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CHEBI:62047 - (S)-carnitinyl-CoA(3−)

ChEBI IDCHEBI:62047
ChEBI Name(S)-carnitinyl-CoA(3−)
Stars
ASCII Name(S)-carnitinyl-CoA(3-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of (S)-carnitinyl-CoA; major species at pH 7.3.
Last Modified23 October 2012
SubmitterEugeni Belda
DownloadsMolfile
FormulaC28H46N8O18P3S
Net Charge-3
Average Mass907.703
Monoisotopic Mass907.18801
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)/p-3/t16-,17+,21+,22+,23-,27+/m0/s1
InChIKeyBBRISSLDTUHWKG-ZORKKWTOSA-K
ChEBI Ontology
Outgoing Relation(s)
(S)-carnitinyl-CoA(3−) (CHEBI:62047) is a acyl-CoA oxoanion (CHEBI:58946)
(S)-carnitinyl-CoA(3−) (CHEBI:62047) is conjugate base of (S)-carnitinyl-CoA betaine (CHEBI:62194)
Incoming Relation(s)
(S)-carnitinyl-CoA betaine (CHEBI:62194) is conjugate acid of (S)-carnitinyl-CoA(3−) (CHEBI:62047)
Synonym  Source
D-carnitinyl-CoA(3−)SUBMITTER
UniProt Name  Source
(S)-carnitinyl-CoAUniProt
Manual XrefsDatabases
D-CARNITINYL-COAMetaCyc