MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0047516
Properties
Image
MNX_ID
MNXM165867
reference
envipathM:...aca0fac68f14
formula
C
4
H
8
O
2
global charge
0
mol weight
88.106
InChIKey
ORTVZLZNOYNASJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
SMILES
OCC=CCO
MNX internals
InChI (mnx)
InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1?
SMILES (mnx)
[CH:1](=[CH:2][CH2:4][OH:6])[CH2:3][OH:5]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
envipath:...aca0fac68f14
envipathM:...aca0fac68f14
ORTVZLZNOYNASJ-UHFFFAOYSA-N
compound 0047516
sabiork.compound:27961
sabiorkM:27961
ORTVZLZNOYNASJ-UHFFFAOYSA-N
2-Butene-1,4-diol