Monomethyl glutarate
PubChem CID: 73917
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| Compound Synonyms | 1501-27-5, 5-Methoxy-5-oxopentanoic acid, Monomethyl glutarate, Methyl hydrogen glutarate, mono-Methyl glutarate, Glutaric Acid Monomethyl Ester, monomethyl glutaric acid, Glutaric acid, monomethyl ester, 4-Methoxycarbonylbutanoic acid, PENTANEDIOIC ACID, MONOMETHYL ESTER, 4-(Methoxycarbonyl)butyric acid, Pentanedioic acid, 1-methyl ester, Glutaric acid methyl half ester, NSC93807, NSC-93807, Methyl glutarate,mono, Monomethyl ester of glutaric acid, 4-Carboxybutanoic acid methyl ester, EINECS 216-116-1, MFCD00004409, NSC 93807, MONOMETHYL PENTANEDIOATE, DTXSID4044589, SK94163098, CHEBI:86396, Pentanedioic acid monomethyl ester, GLUTARIC ACID, METHYL ESTER, MonomethylGlutarate-1,5-13C2, 4-(methoxycarbonyl)butanoic acid, METHYLHYDROGENGLUTARATE, 5-methoxy-5-oxo-pentanoic acid, UNII-SK94163098, 4-(Methoxycarbonyl)butyric acid, 4-Carboxybutanoic acid methyl ester4-Methoxycarbonylbutanoic acid, 5-Methoxy-5-oxopentanoic acid, Glutaric acid methyl half ester, Monomethyl pentanedioate, NSC 93807, 4-Carboxybutanoic acid, 4-Methoxycarbonylbutanoate, Glutaric acid methyl ester, 4-(Methoxycarbonyl)butyrate, NCIStruc1_001792, NCIStruc2_000094, Glutaric acid monomethylester, SCHEMBL19772, mono-Methyl glutarate, 95%, Monomethyl ester of glutarate, 5-keto-5-methoxy-valeric acid, glutaric acid mono methyl ester, CHEMBL1483438, DTXCID2024589, 5-Methoxy-5-oxopentanoic acid #, 5-(methyloxy)-5-oxopentanoic acid, BAA50127, NCI93807, Tox21_301438, AC9189, CCG-37764, NCGC00013981, s6072, AKOS000278803, CS-W018239, Glutaric acid, monomethyl ester (8CI), HY-W017523, NCGC00013981-02, NCGC00097090-01, NCGC00255716-01, AS-10521, NCI60_042093, SY029949, CAS-1501-27-5, DB-063845, G0258, NS00024908, EN300-24804, Q27159131, Z203045008, 216-116-1 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Description | Metabolism of dibasic esters(DBEs) by nasal respiratory and olfactory mucosae in vitro demonstrated that hydrolysis of DBEs yields mainly the monomethyl esters (monomethyl adipate, monomethyl glutarate, and monomethyl succinate). PMCID: 1568341 [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16473 |
| Iupac Name | 5-methoxy-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Target Id | NPT210 |
| Xlogp | 0.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Molecular Formula | C6H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBMRTYCHDPMBFN-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.205 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 1.459 |
| Synonyms | 2-Methyleneglutarate, 4-(Methoxycarbonyl)butyrate, 4-(Methoxycarbonyl)butyric acid, 4-Carboxybutanoate, 4-Carboxybutanoic acid, 4-Carboxybutanoic acid methyl ester, 4-Methoxycarbonylbutanoate, 4-Methoxycarbonylbutanoic acid, 5-Methoxy-5-oxopentanoate, 5-Methoxy-5-oxopentanoic acid, Glutaric acid methyl ester, Glutaric acid methyl half ester, Glutaric acid monomethyl ester, Glutaric acid monomethylester, Methyl glutarate, Methyl glutarate,mono, Methyl hydrogen glutarate, mono-methyl glutarate, Monomethyl ester of glutarate, Monomethyl ester of glutaric acid, Monomethyl glutarate, Pentanedioic acid monomethyl ester, mono-Methyl glutarate, Monomethyl ester OF glutarate, Monomethyl ester OF glutaric acid, Pentanedioate, Pentanedioic acid |
| Substituent Name | Fatty acid methyl ester, Dicarboxylic acid or derivatives, Methyl ester, Carboxylic acid ester, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Monomethyl glutarate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 146.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.5987804000000001 |
| Inchi | InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8) |
| Smiles | COC(=O)CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty acid methyl esters |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all