MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-Methyl-1,2-dihydroxypentane
Properties
Image
MNX_ID
MNXM151213
reference
chebi:179532
formula
C
6
H
14
O
2
global charge
0
mol weight
118.176
InChIKey
AMOCOBXCNIBDMC-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-5(2)3-6(8)4-7/h5-8H,3-4H2,1-2H3
SMILES
CC(C)CC(O)CO
MNX internals
InChI (mnx)
InChI=1/C6H14O2/c1-5(2)3-6(8)4-7/h5-8H,3-4H2,1-2H3/t6?
SMILES (mnx)
[CH3:1][CH:5]([CH3:2])[CH2:3][CH:6]([CH2:4][OH:7])[OH:8]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
hmdb:HMDB0059740
CHEBI:179532
chebi:179532
AMOCOBXCNIBDMC-UHFFFAOYSA-N
4-Methyl-1,2-dihydroxypentane
4-methylpentane-1,2-diol
hmdb:HMDB59740
secondary/obsolete/fantasy identifier