STE
STEARIC ACID
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 0 |
Bond Count | 55 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | STEARIC ACID |
Systematic Name (OpenEye OEToolkits) | octadecanoic acid |
Formula | C18 H36 O2 |
Molecular Weight | 284.477 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCCCCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCCCC(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCCCC(=O)O |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
InChIKey | InChI | 1.03 | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB03193 |
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Name | Stearic acid |
Groups |
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Description | Stearic acid (IUPAC systematic name: octadecanoic acid) is one of the useful types of saturated fatty acids that comes from many animal and vegetable fats and oils. It is a waxy solid. |
Synonyms |
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Brand Names |
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Categories |
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CAS number | 57-11-4 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Peroxisome proliferator-activated receptor alpha | MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG... | unknown | |
Group IID secretory phospholipase A2 | MELALLCGLVVMAGVIPIQGGILNLNKMVKQVTGKMPILSYWPYGCHCGL... | unknown | |
Fatty acid-binding protein, heart | MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDIL... | unknown | |
Serum albumin | MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 139057051, 5281 |
ChEMBL | CHEMBL46403 |
ChEBI | CHEBI:28842 |
CCDC/CSD | PEQBES, STARAC05, STARAC06, STARAC07, STARAC08 |
COD | 2007656, 2009481 |