Showing metabocard for Hexa-2,4-dienol (MMDBc0033649)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:57:25 UTC
Update Date2022-08-31 22:37:25 UTC
MiMeDB IDMMDBc0033649
Metabolite Identification
Common NameHexa-2,4-dienol
Description(2E,4E)-2,4-hexadien-1-ol, also known as sorbyl alcohol or (e,e)-hexa-2,4-dien-1-ol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms (2E,4E)-2,4-hexadien-1-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e1a94d0>

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3D MOL for #<Metabolite:0x000055b76e1a94d0>

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3D SDF for #<Metabolite:0x000055b76e1a94d0>

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3D-SDF for #<Metabolite:0x000055b76e1a94d0>

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PDB for #<Metabolite:0x000055b76e1a94d0>

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3D PDB for #<Metabolite:0x000055b76e1a94d0>

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SMILES for #<Metabolite:0x000055b76e1a94d0>

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INCHI for #<Metabolite:0x000055b76e1a94d0>

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Synonyms
ValueSource
(2E,4E)-2,4-HexadienolChEBI
(e,e)-2,4-Hexadien-1-olChEBI
(e,e)-Hexa-2,4-dien-1-olChEBI
Sorbic alcoholChEBI
Sorbyl alcoholChEBI
trans,trans-2,4-Hexadien-1-olChEBI
trans-2,4-HexadienolChEBI
2,4-Hexadien-1-olMeSH
Sorbyl alcohol, (e,e)-isomerMeSH
Chemical FormulaC6H10O
Average Molecular Weight98.145
Monoisotopic Molecular Weight98.073164942
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+
InChI KeyMEIRRNXMZYDVDW-MQQKCMAXSA-N