CAS: 1553-55-5
Nom: HMG-CoA
IUPAC: (3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
SMILES:
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)OCanonical SMILES:
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)OFormule moléculaire: C27H44N7O20P3S
Masse molaire: 911.70
InChIKey: CABVTRNMFUVUDM-VRHQGPGLSA-N
InChI:
PubChem CID: 445127 →InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21+,25-,27+/m1/s1Synonymes
HMG-CoA(S)-3-hydroxy-3-methylglutaryl-CoAhydroxymethylglutaryl-CoAHydroxymethylglutaroyl coenzyme A3-hydroxy-3-methylglutaryl-coenzyme A1553-55-5(3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acidCHEBI:15467S-(Hydrogen 3-hydroxy-3-methylpentanedioate) coenzyme A(3S)-5-(2-(3-(((2R)-4-((((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethylsulfanyl)-3-hydroxy-3-methyl-5-oxopentanoic acidRefChem:70416coenzyme A, 3-hydroxy-3-methylglutaryl-216-301-7HMG-coenzyme A(3S)-3-hydroxy-3-methylglutaryl-CoA(S)-3-hydroxy-3-methylglutaryl-coenzyme AMevaldyl-Coenzyme A26926-09-0S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A3-hydroxy-3-methyl-glutaryl-CoA3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}ZKESCHEMBL1198GTPL3040Hydroxymethylglutaryl-Coenzyme ACHEMBL1794644DTXSID40862689CABVTRNMFUVUDM-VRHQGPGLSA-NLMFA070501163-hydroxy-3-methyl-Glutaryl-Coenzyme A
Impliqué dans 17 réactions→