CHEBI:62047 - (S)-carnitinyl-CoA(3−)

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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
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