Showing metabocard for 2,3-Dihydroxybenzoylserine (MMDBc0031555)
Record Information | |||||||||||||
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Version | 1.0 | ||||||||||||
Status | Detected and Quantified | ||||||||||||
Creation Date | 2021-11-18 01:39:00 UTC | ||||||||||||
Update Date | 2024-10-13 12:50:49 UTC | ||||||||||||
Metabolite ID | MMDBc0031555 | ||||||||||||
Metabolite Identification | |||||||||||||
Common Name | 2,3-Dihydroxybenzoylserine | ||||||||||||
Description | 2,3-dihydroxybenzoylserine is a member of the chemical class known as Catechols. These are compounds containing a 1,2-benzenediol moeity. 2,3-dihydroxybenzoylserine is invovled in Enterobactin degradation. It is a product of the enzyme 2,3-dihydroxybenzoate-serine ligase (EC 6.3.2.14) is an enzyme that catalyzes the chemical reaction ATP + 2,3-dihydroxybenzoate + L-serine ↵ightleftharpoons products of ATP breakdown + N-(2,3-dihydroxybenzoyl)-L-serine. (PMID 4966114 ). | ||||||||||||
Structure | |||||||||||||
Synonyms |
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Molecular Formula | C10H11NO6 | ||||||||||||
Average Mass | 241.1974 | ||||||||||||
Monoisotopic Mass | 241.058637089 | ||||||||||||
IUPAC Name | Not Available | ||||||||||||
Traditional Name | Not Available | ||||||||||||
CAS Registry Number | 127658-43-9 | ||||||||||||
SMILES | Not Available | ||||||||||||
InChI Identifier | InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 | ||||||||||||
InChI Key | VDTYHTVHFIIEIL-LURJTMIESA-N | ||||||||||||
Chemical Taxonomy | |||||||||||||
Description | Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. | ||||||||||||
Kingdom | Organic compounds | ||||||||||||
Super Class | Benzenoids | ||||||||||||
Class | Benzene and substituted derivatives | ||||||||||||
Sub Class | Benzoic acids and derivatives | ||||||||||||
Direct Parent | Hippuric acids | ||||||||||||
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Substituents |
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Molecular Framework | Aromatic homomonocyclic compounds | ||||||||||||
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Functional Ontology | |||||||||||||
Not Available | |||||||||||||
Physical Properties | |||||||||||||
State | Expected Solid | ||||||||||||
Predicted Properties | Not Available | ||||||||||||
Spectra | |||||||||||||
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Cellular Locations | Not Available | ||||||||||||
Biospecimen Locations | Not Available | ||||||||||||
Tissue Locations | Not Available | ||||||||||||
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Reactions
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HMDB ID | Not Available | ||||||||||||
DrugBank ID | DB02710 | ||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||
FooDB ID | Not Available | ||||||||||||
KNApSAcK ID | Not Available | ||||||||||||
Chemspider ID | Not Available | ||||||||||||
KEGG Compound ID | C04204 | ||||||||||||
BioCyc ID | Not Available | ||||||||||||
BiGG ID | Not Available | ||||||||||||
Wikipedia Link | Not Available | ||||||||||||
METLIN ID | Not Available | ||||||||||||
PubChem Compound | 151483 | ||||||||||||
PDB ID | Not Available | ||||||||||||
ChEBI ID | 17455 | ||||||||||||
Food Biomarker Ontology | Not Available | ||||||||||||
References | |||||||||||||
Synthesis Reference | Not Available | ||||||||||||
General References |
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