Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H8IT
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| Former ID |
DIB020344
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| Drug Name |
methylmalonyl-CoA
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| Synonyms |
Methylmalonyl coa; methylmalonyl-CoA; Methylmalonyl coenzyme A; Coenzyme A, methylmalonyl-; methylmalonyl-coenzyme A; 1264-45-5; 2-Methylmalonyl-CoA; Coenzyme A, S-(hydrogen methylpropanedioate); ta-D-ribofuranosyl]-; Isosuccinyl coenzyme A; Methylmalonyl coemzyme A; AC1Q5ROZ; METHYL-MALONYL-COA; (2RS)-Methylmalonyl CoA; AC1L3XJ1; SCHEMBL25429; 2-methyl-3-oxopropanoyl-CoAs; GTPL5223; CHEBI:16625; CTK4B5185; MZFOKIKEPGUZEN-FBMOWMAESA-N; RTR-032790; Coenzyme A, S-(hydrogen methylmalonate); Coenzyme A, S-(hydrogenmethylpropanedioate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C25H40N7O19P3S
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| Canonical SMILES |
CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
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| InChI |
1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1
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| InChIKey |
MZFOKIKEPGUZEN-FBMOWMAESA-N
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| CAS Number |
CAS 1264-45-5
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:16625
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5223). | |||
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