isobutyryl-coenzyme A(4-)

chemical compound

Wikidata entity: Q28529703

C₂₅H₃₈N₇O₁₇P₃S (P274)



Quantities

P2067mass833.1279679656398

P233 canonical SMILES String CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] ???
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 ???
P361 part of ... Q21121762 (dihydrolipoyllysine-residue (2-methylpropanoyl)transferase activity) dihydrolipoyllysine-residue (2-methylpropanoyl)transferase activity
P361 part of ... Q22316098 (2-oxoisovalerate dehydrogenase (acylating) activity) 2-oxoisovalerate dehydrogenase (acylating) activity
P361 part of ... Q22316385 (3-methyl-2-oxobutanoate dehydrogenase (ferredoxin) activity) 3-methyl-2-oxobutanoate dehydrogenase (ferredoxin) activity
P361 part of ... Q22324048 (isobutyryl-CoA mutase activity) isobutyryl-CoA mutase activity
P279 subclass of ... Q107968 (anion) anion

External Ids
P683ChEBI ID57338
P8494DSSTOX compound identifierDTXCID901364028
P3117DSSTox substance IDDTXSID90935397
P234InChIInChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1
P235InChIKeyAEWHYWSPVRZHCT-NDZSKPAWSA-J
P662PubChem CID45266570
P8691SwissLipids IDSLM:000389506
P11089UniChem compound ID1103856

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