CHEBI:62194 - (S)-carnitinyl-CoA betaine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-carnitinyl-CoA betaine
ChEBI ID CHEBI:62194
ChEBI ASCII Name (S)-carnitinyl-CoA betaine
Definition A 3-hydroxyacyl-CoA where the S-acyl group is specified as (S)-carnitinyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H49N8O18P3S
Net Charge 0
Average Mass 910.71800
Monoisotopic Mass 910.20984
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)/t16-,17+,21+,22+,23-,27+/m0/s1
InChIKey BBRISSLDTUHWKG-ZORKKWTOSA-N
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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-carnitinyl-CoA betaine (CHEBI:62194) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(S)-carnitinyl-CoA betaine (CHEBI:62194) is a ammonium betaine (CHEBI:35284)
(S)-carnitinyl-CoA betaine (CHEBI:62194) is conjugate acid of (S)-carnitinyl-CoA(3−) (CHEBI:62047)
Incoming (S)-carnitinyl-CoA(3−) (CHEBI:62047) is conjugate base of (S)-carnitinyl-CoA betaine (CHEBI:62194)
Synonyms Sources
(S)-carnitinyl-CoA inner salt ChEBI
D-carnitinyl-CoA betaine ChEBI
D-carnitinyl-CoA inner salt ChEBI
Last Modified
20 May 2011