Showing metabocard for (2R,3R)-2,3-Dihydroxy-3-methylpentanoate (MMDBc0033209)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:39:09 UTC
Update Date2022-08-31 22:29:50 UTC
MiMeDB IDMMDBc0033209
Metabolite Identification
Common Name(2R,3R)-2,3-Dihydroxy-3-methylpentanoate
Description(2R,3R)-2,3-Dihydroxy-3-methylpentanoate, also known as (2R,3R)-2,3-dihydroxy-3-methylvaleric acid, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group (2R,3R)-2,3-Dihydroxy-3-methylpentanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e2ece50>

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3D MOL for #<Metabolite:0x000055b76e2ece50>

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3D SDF for #<Metabolite:0x000055b76e2ece50>

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3D-SDF for #<Metabolite:0x000055b76e2ece50>

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PDB for #<Metabolite:0x000055b76e2ece50>

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3D PDB for #<Metabolite:0x000055b76e2ece50>

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SMILES for #<Metabolite:0x000055b76e2ece50>

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INCHI for #<Metabolite:0x000055b76e2ece50>

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Synonyms
ValueSource
(2R,3R)-2,3-Dihydroxy-3-methylvalerateChEBI
(R)-2,3-Dihydroxy-3-methylpentanoateChEBI
(R)-2,3-Dihydroxy-3-methylvalerateChEBI
(2R,3R)-2,3-Dihydroxy-3-methylvaleric acidGenerator
(R)-2,3-Dihydroxy-3-methylpentanoic acidGenerator
(R)-2,3-Dihydroxy-3-methylvaleric acidGenerator
(2R,3R)-2,3-Dihydroxy-3-methylpentanoic acidGenerator
Chemical FormulaC6H11O4
Average Molecular Weight147.1491
Monoisotopic Molecular Weight147.06573384
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/p-1/t4-,6+/m0/s1
InChI KeyPDGXJDXVGMHUIR-UJURSFKZSA-M