2-Methylacetoacetyl-CoA,小分子代谢物

2-Methylacetoacetyl-CoA

SMPDB_ID

SMP0000137

通道名称

2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency

通路

Disease

代谢物ID

PW_C000897

CAS号

公式

C26H42N7O18P3S

HMDB_ID

HMDB0001157

KEGG_ID

C03344

ChEBI_ID

15476

DrugBank_ID

IUPAC

{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

微笑

CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12

InChI

InChI=1S/C26H42N7O18P3S/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/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)

InChI关键

NHNODHRSCRALBF-UHFFFAOYSA-N

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