Term: | (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) |
|
Accession: | CHEBI:57312
|
browse the term
|
Definition: | An acyl-CoA(4-) that is the tetraanion of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups. |
Synonyms: | exact_synonym: | 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} |
| related_synonym: | (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA; (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA tetraanion; (2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A(4-); Formula=C26H40N7O18P3S; InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14-,15+,18+,19+,20-,24+/m0/s1; InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J; SMILES=[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H]([C@H](C)O)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O |
| xref: | PDBeChem:T1G; PMID:23351063 |
| cyclic_relationship: | is_conjugate_base_of CHEBI:15449 |
|
|