(R)-Methylmalonyl-CoA

(2R)-3-[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]-2-methyl-3-oxopropanoic acid

Also Known As: (R)-methylmalonyl-CoA|methylmalonyl-coenzyme A|Methylmalonyl coa|L-methylmalonyl-CoA|Cangrelor Impurity 11|(2R)-Methylmalonyl-CoA|Coenzyme A, methylmalonyl-|(R)-2-Methyl-3-oxopropanoyl-CoA|(R)-2-Methyl-3-oxopropionyl-CoA|(R)-3-Oxo-2-methylpropanoyl-CoA|HY-126791B|Coenzyme A, S-[(R)-hydrogen methylpropanedioate]|(2R)-3-[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]-2-methyl-3-oxopropanoic acid|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|(2R)-3-((2-((3-(((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-1,2-dihydroxy-3,3-dimethylbutylidene)amino)-1-hydroxypropylidene)amino)ethyl)sulfanyl)-2-methyl-3-oxopropanoic acid|(2R)-3-((2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)-2-methyl-3-oxopropanoic acid|(2R)-3-(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)-2-methyl-3-oxopropanoic acid|(2R)-3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid|(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)|(9R,20R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicosan-21-oic acid|3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-(((2R)-2-methyl-3-oxopropanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate)|Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-2,2-dimethyl-3-hydroxy-3-[[2-[[2-[(R)-2-carboxypropionylthio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester|Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-2,2-dimethyl-3-hydroxy-3-[[2-[[2-[(R)-3-hydroxy-1,3-dioxo-2-methylpropylthio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester|Adenosine 5 -[diphosphoric acid beta-[(R)-4-[[2-[[2-[[(R)-2-carboxypropanoyl]thio]ethyl]carbamoyl]ethyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]]3 -phosphoric acid|MCA

Molecular Formula	C25H40N7O19P3S
Molecular Weight	867.1312 g/mol
LogP	-5.4
Topological Polar Surface Area	426.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	24
Rotatable Bonds	22
Exact Mass	867.1312
Monoisotopic Mass	867.1312
Heavy Atoms	55
Complexity	1530.0

Chemical Identifiers

CAS Number	73173-92-9
SMILES	C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChIKey	MZFOKIKEPGUZEN-AGCMQPJKSA-N