MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2,3-Pentanediol
Properties
Image
MNX_ID
MNXM164080
reference
sabiorkM:27260
formula
C
5
H
12
O
2
global charge
0
mol weight
104.149
InChIKey
XLMFDCKSFJWJTP-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3
SMILES
CCC(O)C(C)O
MNX internals
InChI (mnx)
InChI=1/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4?,5?
SMILES (mnx)
[CH3:1][CH2:3][CH:5]([CH:4]([CH3:2])[OH:6])[OH:7]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:27260
sabiorkM:27260
XLMFDCKSFJWJTP-UHFFFAOYSA-N
2,3-Pentanediol
hmdb:HMDB0256276
XLMFDCKSFJWJTP-UHFFFAOYSA-N
Pentane-2,3-diol
2,3-Pentanediol
pentane-2,3-diol