Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2012-09-06 15:16:51 UTC |
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Update Date | 2022-03-07 02:51:53 UTC |
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HMDB ID | HMDB0015193 |
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Secondary Accession Numbers | - HMDB0030500
- HMDB15193
- HMDB30500
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Metabolite Identification |
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Common Name | Amoxicillin |
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Description | Amoxicillin (International Nonproprietary Name), or amoxycillin (British Approved Name), is a moderate-spectrum, bacteriolytic, -lactam antibiotic used to treat bacterial infections caused by susceptible microorganisms. It is a broad-spectrum semisynthetic antibiotic similar to ampicillin except that its resistance to gastric acid permits higher serum levels with oral administration (PubChem). Amoxicillin is active against a wide range of Gram-positive and a limited range of Gram-negative organisms. It is susceptible to degradation by beta-lactamase-producing bacteria, and so may be given with clavulanic acid to increase its susceptibility. The incidence of beta-lactamase-producing resistant organisms, including E. coli, appears to be increasing. Amoxicillin binds to penicillin-binding protein 1A (PBP-1A) located inside the bacterial cell wall. Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that amoxicillin interferes with an autolysin inhibitor. Amoxicillin is usually the drug of choice within the class because it is better absorbed, following oral administration, than other -lactam antibiotics. Amoxicillin in trihydrate form is available as capsules, chewable and dispersible tablets, syrup and pediatric suspension for oral use, and as the sodium salt for intravenous administration. It is one of the most common antibiotics prescribed for children, and the liquid forms are helpful in cases where the patient might find it difficult to take tablets or capsules. It has three ionizable groups. Amoxicillin as a once-daily dosing form (Moxatag) was approved by the American FDA in January 2008. Amoxicillin is one of the semi-synthetic penicillins discovered by Beecham scientists. The patent for amoxicillin has expired, thus amoxicillin is marketed under many trade names, including Actimoxi, Alphamox, AMK, Amoksibos, Amoxiclav Sandoz, Amoxidal, Amoxil, Amoxin, Amoksiklav, Amoxibiotic, Amoxicilina, Apo-Amoxi, Augmentin, Bactox, Betalaktam, Cilamox, Curam, Dedoxil, Dispermox, Duomox, E-Mox (250mg and 500 mg), Enhancin, Gimalxina, Geramox, Hiconcil, Isimoxin, Klavox, Lamoxy, Moxatag, Moxilen, Moxypen, Moxyvit, Nobactam, Novamoxin, Ospamox, Panklav, Pamoxicillin, Panamox, Polymox, Samthongcillin, Clamoxyl, Senox, Sinacilin, Trimox, Tolodina, Wymox, Yucla, Zerrsox, and Zimox. Amoxicillin is found in milk and milk products. It is a potential contaminant in cow's milk arising from its veterinary use. | Read more...
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Structure | [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 |
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Synonyms | Value | Source |
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(2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ChEBI | 6-(p-Hydroxy-alpha-aminophenylacetamido)penicillanic acid | ChEBI | alpha-Amino-p-hydroxybenzylpenicillin | ChEBI | Amolin | ChEBI | Amopenixin | ChEBI | Amoxicilina | ChEBI | Amoxicillin anhydrous | ChEBI | Amoxicilline | ChEBI | Amoxicillinum | ChEBI | Amoxycilin | ChEBI | Amoxycillin | ChEBI | AMPC | ChEBI | AX | ChEBI | Clamoxyl | ChEBI | Moxal | ChEBI | p-Hydroxyampicillin | ChEBI | (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | Generator | 6-(p-Hydroxy-a-aminophenylacetamido)penicillanate | Generator | 6-(p-Hydroxy-a-aminophenylacetamido)penicillanic acid | Generator | 6-(p-Hydroxy-alpha-aminophenylacetamido)penicillanate | Generator | 6-(p-Hydroxy-α-aminophenylacetamido)penicillanate | Generator | 6-(p-Hydroxy-α-aminophenylacetamido)penicillanic acid | Generator | a-Amino-p-hydroxybenzylpenicillin | Generator | Α-amino-p-hydroxybenzylpenicillin | Generator | Amoxicillin trihydrate | HMDB | Amoxycillin trihydrate | HMDB | D-Amoxicillin | HMDB | Actimoxi | HMDB | Amoxicillin monopotassium salt | HMDB | Amoxicillin monosodium salt | HMDB | Clariana brand OF amoxicillin | HMDB | Polymox | HMDB | Amoxicillin sodium | HMDB | Clamoxyl parenteral | HMDB | Trihydrate, amoxicillin | HMDB | Anhydrous, amoxicillin | HMDB | Clamoxyl g.a. | HMDB | Hydroxyampicillin | HMDB | Pfizer brand OF amoxicillin sodium salt | HMDB | Trimox | HMDB | Wymox | HMDB | Amoxicillin clariana brand | HMDB | Amoxicillin, (r*)-isomer | HMDB | Amoxil | HMDB | G.A., clamoxyl | HMDB | Penamox | HMDB | SmithKline beecham brand OF amoxicillin sodium salt | HMDB | Sodium, amoxicillin | HMDB | Parenteral, clamoxyl | HMDB | 6-(a-Amino-4-hydroxyphenylacetamido)penicillanic acid | HMDB | 6-(D-(-)-p-Hydroxy-alpha-aminobenzyl)penicillin | HMDB | 6-[[Amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 9ci | HMDB | Almodan | HMDB | Amix | HMDB | Amoclen | HMDB | Amopen | HMDB | Amoram | HMDB | Amox 250 cap 250MG | HMDB | Amox 500 cap 500MG | HMDB | Amox S 125 sus 125mg/5ML | HMDB | Amox S 250 sus 250mg/5ML | HMDB | Amoxi | HMDB | Amoxi-mast | HMDB | Amoxicaps | HMDB | Amoxicillin (anhydrous) | HMDB | Amoxicillin and clavulanate potassium | HMDB | Amoxicillin pediatric | HMDB | Amoxicillin(usan) | HMDB | Amoxid | HMDB | Amoxiden | HMDB | Amoxivet | HMDB | Amoxycillin, ban | HMDB | Amoxymed | HMDB | Amrit | HMDB | Anemolin | HMDB | Apo-amoxi | HMDB | Apo-amoxi cap 250MG | HMDB | Apo-amoxi cap 500MG | HMDB | Apo-amoxi PWR for susp 125mg/5ML | HMDB | Apo-amoxi PWR for susp 250mg/5ML | HMDB | Apo-amoxi sugar free | HMDB | Aspenil | HMDB | AUGMENTIN '125' | HMDB | AUGMENTIN '200' | HMDB | AUGMENTIN '250' | HMDB | AUGMENTIN '400' | HMDB | AUGMENTIN '500' | HMDB | AUGMENTIN '875' | HMDB | AUGMENTIN es-600 | HMDB | Biomox | HMDB | Bristamox | HMDB | BRL 2333 | HMDB | Cemoxin | HMDB | Clamoxyl (SKB) | HMDB | D-(-)-alpha-Amino-p-hydroxybenzyl penicillin | HMDB | D-(-)-alpha-Amino-p-hydroxybenzylpenicillin | HMDB | D-(alpha-Amino-p-hydroxybenzyl)penicillin | HMDB | D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid | HMDB | Delacillin | HMDB | Dispermox | HMDB | Efpenix | HMDB | Flemoxin | HMDB | Galenamox | HMDB | Gen-amoxicillin 250MG | HMDB | Gen-amoxicillin 500MG | HMDB | Hiconcil | HMDB | Histocillin | HMDB | Ibiamox | HMDB | Imacillin | HMDB | Larotid | HMDB | Metafarma capsules | HMDB | Metifarma capsules | HMDB | Moxacin | HMDB | Moxatag | HMDB | Novamoxin cap 250MG | HMDB | Novamoxin cap 500MG | HMDB | Novamoxin sus 125mg/5ML | HMDB | Novamoxin sus 250mg/5ML | HMDB | Nu-amoxi cap 250MG | HMDB | Nu-amoxi cap 500MG | HMDB | Nu-amoxi sus 125/5ML | HMDB | Nu-amoxi sus 250mg/5ML | HMDB | Ospamox | HMDB | PHL-Amoxicillin | HMDB | Piramox | HMDB | PMS-Amoxicillin | HMDB | Prevpac | HMDB | Pro amox PWR for oral susp 125mg/5ML | HMDB | Pro amox-250 cap 250MG | HMDB | Pro amox-500 cap 500MG | HMDB | Pro-amox-250 orl sus 250mg/5ML | HMDB | R-Hydroxyampicillin | HMDB | Rimoxallin | HMDB | Robamox | HMDB | Sauracillin | HMDB | Sawamox PM | HMDB | Sumox | HMDB | Unicillin | HMDB | Utimox | HMDB | Vetramox | HMDB | Amoxicillin | HMDB |
| Show more...
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Chemical Formula | C16H19N3O5S |
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Average Molecular Weight | 365.404 |
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Monoisotopic Molecular Weight | 365.104541423 |
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IUPAC Name | (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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Traditional Name | amoxicillin |
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CAS Registry Number | 26787-78-0 |
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SMILES | [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O |
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InChI Identifier | InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 |
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InChI Key | LSQZJLSUYDQPKJ-NJBDSQKTSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1]. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Lactams |
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Sub Class | Beta lactams |
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Direct Parent | Penicillins |
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Alternative Parents | |
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Substituents | - Penicillin
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Phenylacetamide
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Benzenoid
- Monocyclic benzene moiety
- Thiazolidine
- Tertiary carboxylic acid amide
- Azetidine
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Carboxamide group
- Amino acid
- Azacycle
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Dialkylthioether
- Hemithioaminal
- Thioether
- Primary aliphatic amine
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organopnictogen compound
- Organonitrogen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 194 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.96 g/L | Not Available | LogP | 0 | Not Available |
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Experimental Chromatographic Properties | Experimental Collision Cross Sections |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Amoxicillin,1TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O | 3139.2 | Semi standard non polar | 33892256 | Amoxicillin,1TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3006.7 | Semi standard non polar | 33892256 | Amoxicillin,1TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O | 3097.3 | Semi standard non polar | 33892256 | Amoxicillin,1TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 2969.7 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3106.8 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O | 3128.3 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3053.2 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3017.5 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 2931.1 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #6 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3013.0 | Semi standard non polar | 33892256 | Amoxicillin,2TMS,isomer #7 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3083.1 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3109.6 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 2984.3 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3937.6 | Standard polar | 33892256 | Amoxicillin,3TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3051.4 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 2984.0 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 4093.9 | Standard polar | 33892256 | Amoxicillin,3TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3073.0 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3031.5 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3859.4 | Standard polar | 33892256 | Amoxicillin,3TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3137.6 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3093.0 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 4012.2 | Standard polar | 33892256 | Amoxicillin,3TMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 2988.6 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3063.7 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3783.8 | Standard polar | 33892256 | Amoxicillin,3TMS,isomer #6 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3037.6 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #6 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3119.0 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #6 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 4042.7 | Standard polar | 33892256 | Amoxicillin,3TMS,isomer #7 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3063.2 | Semi standard non polar | 33892256 | Amoxicillin,3TMS,isomer #7 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3175.4 | Standard non polar | 33892256 | Amoxicillin,3TMS,isomer #7 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3983.9 | Standard polar | 33892256 | Amoxicillin,4TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3086.8 | Semi standard non polar | 33892256 | Amoxicillin,4TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3045.0 | Standard non polar | 33892256 | Amoxicillin,4TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C)C3=CC=C(O[Si](C)(C)C)C=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3500.5 | Standard polar | 33892256 | Amoxicillin,4TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3143.3 | Semi standard non polar | 33892256 | Amoxicillin,4TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3105.9 | Standard non polar | 33892256 | Amoxicillin,4TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3693.2 | Standard polar | 33892256 | Amoxicillin,4TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3131.0 | Semi standard non polar | 33892256 | Amoxicillin,4TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3168.0 | Standard non polar | 33892256 | Amoxicillin,4TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3660.6 | Standard polar | 33892256 | Amoxicillin,4TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3052.0 | Semi standard non polar | 33892256 | Amoxicillin,4TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3196.2 | Standard non polar | 33892256 | Amoxicillin,4TMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3576.8 | Standard polar | 33892256 | Amoxicillin,5TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3163.5 | Semi standard non polar | 33892256 | Amoxicillin,5TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3165.7 | Standard non polar | 33892256 | Amoxicillin,5TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C)C=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3355.7 | Standard polar | 33892256 | Amoxicillin,1TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O | 3374.5 | Semi standard non polar | 33892256 | Amoxicillin,1TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3289.3 | Semi standard non polar | 33892256 | Amoxicillin,1TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O | 3317.4 | Semi standard non polar | 33892256 | Amoxicillin,1TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3240.5 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3576.8 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O | 3581.9 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3517.7 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3481.1 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3418.3 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #6 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3445.4 | Semi standard non polar | 33892256 | Amoxicillin,2TBDMS,isomer #7 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3607.4 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3750.3 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3621.5 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4082.9 | Standard polar | 33892256 | Amoxicillin,3TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3688.9 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3591.8 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4230.3 | Standard polar | 33892256 | Amoxicillin,3TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3721.3 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3658.8 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4044.6 | Standard polar | 33892256 | Amoxicillin,3TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3862.8 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3685.6 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4132.4 | Standard polar | 33892256 | Amoxicillin,3TBDMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3609.3 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3700.3 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #5 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3941.9 | Standard polar | 33892256 | Amoxicillin,3TBDMS,isomer #6 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3754.6 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #6 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3720.6 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #6 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4098.1 | Standard polar | 33892256 | Amoxicillin,3TBDMS,isomer #7 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3773.6 | Semi standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #7 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3760.7 | Standard non polar | 33892256 | Amoxicillin,3TBDMS,isomer #7 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4082.6 | Standard polar | 33892256 | Amoxicillin,4TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3875.3 | Semi standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3810.3 | Standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](N[Si](C)(C)C(C)(C)C)C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3822.3 | Standard polar | 33892256 | Amoxicillin,4TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4001.8 | Semi standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3844.3 | Standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3911.8 | Standard polar | 33892256 | Amoxicillin,4TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4005.3 | Semi standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3906.1 | Standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 3904.8 | Standard polar | 33892256 | Amoxicillin,4TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3915.4 | Semi standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3953.7 | Standard non polar | 33892256 | Amoxicillin,4TBDMS,isomer #4 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=C(O)C=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 3814.2 | Standard polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Amoxicillin GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-1900000000-1c2ac124e627e76a25cd | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Amoxicillin GC-MS (2 TMS) - 70eV, Positive | splash10-0006-0900000000-f1dcbada55dfb975b85f | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Amoxicillin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Amoxicillin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-qTof , Positive-QTOF | splash10-03xs-0859000000-8225987d1a20c14acc00 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , negative-QTOF | splash10-00di-0190000000-febb22de5b7f210e4a46 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , negative-QTOF | splash10-056u-4960000000-f3c347843d63d99418c5 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , negative-QTOF | splash10-0036-8900000000-eca01f197da058161684 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , negative-QTOF | splash10-007o-9800000000-cec182c5a522a2979385 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , negative-QTOF | splash10-00ec-9700000000-dc767a962e9f2608b083 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , negative-QTOF | splash10-00dl-9600000000-b831842a45369bb2b48c | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , positive-QTOF | splash10-06r2-0589000000-9c90c12d4fbef3a04a14 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , positive-QTOF | splash10-03di-0910000000-e26fa392674b2a230233 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , positive-QTOF | splash10-03di-1900000000-9e60140bfff56767dbec | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , positive-QTOF | splash10-03di-1900000000-f3065ce1009dda06cf72 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , positive-QTOF | splash10-03e9-2900000000-5516c0723837b4149a68 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin LC-ESI-QFT , positive-QTOF | splash10-06s9-5900000000-cd377b53cefaa4b23c6f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin , positive-QTOF | splash10-03xs-0859000000-8225987d1a20c14acc00 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin 45V, Negative-QTOF | splash10-0036-8900000000-62bd26570eb8aae7a515 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin 30V, Negative-QTOF | splash10-056u-5960000000-d19d44c39e4481d0e1b2 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin 75V, Positive-QTOF | splash10-03e9-2900000000-f6e458dd9ce3de4c0c25 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin 15V, Negative-QTOF | splash10-00di-0190000000-9c79deb14e40c1956190 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Amoxicillin 30V, Positive-QTOF | splash10-03di-0910000000-26e374b1aeae888b2869 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amoxicillin 10V, Positive-QTOF | splash10-096r-1942000000-113f344b62fa2da12fa2 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amoxicillin 20V, Positive-QTOF | splash10-08mi-2920000000-1af60e30ced839146281 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amoxicillin 40V, Positive-QTOF | splash10-0abc-9800000000-8bfef7a27c2a9bdb662c | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amoxicillin 10V, Negative-QTOF | splash10-00di-0091000000-5a11ce4f38e4518c703c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amoxicillin 20V, Negative-QTOF | splash10-00di-0391000000-55921977de48ce477471 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amoxicillin 40V, Negative-QTOF | splash10-00dl-9520000000-9f116d1f75d12afd48bf | 2016-08-03 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| |
Blood | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01060 | | details | Urine | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01060 | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB01060 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 31006 |
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KEGG Compound ID | C06827 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Amoxicillin |
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METLIN ID | Not Available |
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PubChem Compound | 33613 |
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PDB ID | Not Available |
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ChEBI ID | 2676 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Adams OP, Levett PN, Cruickshank JK, Prussia PR, Garriques SA, Cooper RE: Necrotizing haemorrhagic colitis caused by resistant Shigella flexneri. Report of a case. West Indian Med J. 1993 Jun;42(2):85-6. [PubMed:8367972 ]
- Mehta A, Chopra S, Mehta P: Antibiotic inhibition of pectolytic and cellulolytic enzyme activity in two Fusarium species. Mycopathologia. 1993 Dec;124(3):185-8. [PubMed:8022465 ]
- Drawz SM, Bonomo RA: Three decades of beta-lactamase inhibitors. Clin Microbiol Rev. 2010 Jan;23(1):160-201. doi: 10.1128/CMR.00037-09. [PubMed:20065329 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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