CHEBI:62047 - (S)-carnitinyl-CoA(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-carnitinyl-CoA(3−)
ChEBI ID CHEBI:62047
ChEBI ASCII Name (S)-carnitinyl-CoA(3-)
Definition An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of (S)-carnitinyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H46N8O18P3S
Net Charge -3
Average Mass 907.69400
Monoisotopic Mass 907.18801
InChI InChI=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
InChIKey BBRISSLDTUHWKG-ZORKKWTOSA-K
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)C[N+](C)(C)C
ChEBI Ontology
Outgoing (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 (S)-carnitinyl-CoA betaine (CHEBI:62194) is conjugate acid of (S)-carnitinyl-CoA(3−) (CHEBI:62047)
Synonyms Sources
(S)-carnitinyl-CoA UniProt
D-carnitinyl-CoA(3−) SUBMITTER
Manual Xref Database
D-CARNITINYL-COA MetaCyc
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Last Modified
23 October 2012