Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H2RZ
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| Former ID |
DNC003273
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| Drug Name |
Heptanoic Acid
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| Synonyms |
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-; 4436-81-1; NSC45645; 4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one; 16091-70-6; HEPTANOIC ACID,; HEPTANOIC ACID LACTONE DERIV; AC1L3CDV; AC1Q1K5S; SCHEMBL7128855; Heptanoic acid lactone derivative; AWQSAIIDOMEEOD-UHFFFAOYSA-N; NSC36847; NSC140633; NSC-36847; NSC140621; NSC127945; NSC-45645; AKOS006346009; NSC-127945; MCULE-6610625549; NSC-140621; NSC-140633; 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one; C06066; 2(3H)-Furanone,5-dimethyl-4-(3-oxobutyl)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C7H14O2
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| Canonical SMILES |
CCCCCCC(=O)O
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| InChI |
1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
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| InChIKey |
MNWFXJYAOYHMED-UHFFFAOYSA-N
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| CAS Number |
CAS 111-14-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:45571
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Phospholipase A2 (PLA2G1B) | Target Info | Inhibitor | [1] |
| BioCyc | Phospholipases | |||
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Ether lipid metabolism | ||||
| Arachidonic acid metabolism | ||||
| Linoleic acid metabolism | ||||
| alpha-Linolenic acid metabolism | ||||
| Metabolic pathways | ||||
| Ras signaling pathway | ||||
| Vascular smooth muscle contraction | ||||
| Pancreatic secretion | ||||
| Fat digestion and absorption | ||||
| Pathway Interaction Database | Fc-epsilon receptor I signaling in mast cells | |||
| Reactome | Acyl chain remodelling of PC | |||
| Acyl chain remodelling of PE | ||||
| Acyl chain remodelling of PI | ||||
| WikiPathways | Glycerophospholipid biosynthesis | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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