MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
My Selection
Summary
Pick from repository
Import model
Upload reactions
Delete models
Upload genome
Revived!
Analyze
Flux balance (FBA)
Groups of coupled reactions (GCR)
Blocked reactions (BLO)
Reaction knockout (RKO)
Gene/peptide knockout (PKO)
Create / Modify
Combine logically
Split and merge
Growth recovery (GRE)
Build from a genome (BUILD)
Revived!
Utilities
Search/Download MNXref namespace
MNXref ID mapper
new
SPARQL query
Reset session
Documents
Getting started
A short tutorial
Model internals
About
help [AT] metanetx.org
Info / How to cite
Feedback
compound 0245330
Properties
Image
Occurences in reactions
MNX_ID
MNXM1247615
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
65
O
18
charge
-1
mass
845.41764
reference
envipathM:...325c2eb3e282
InChIKey
IKNXJMVWBALEFU-UHFFFAOYSA-M
InChI
InChI=1S/C41H66O18/c1-16-35(50)26(43)13-33(54-16)58-37-18(3)56-34(15-28(37)45)59-36-17(2)55-32(14-27(36)44)57-19-8-24-25(42)11-23-22(39(24,4)29(46)9-19)12-30(47)40(5)21(6-7-41(23,40)53)20(38(51)52)10-31(48)49/h10,16-19,21-30,32-38,42-47,50-53H,6-9,11-15H2,1-5H3,(H,48,49)/p-1
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C(=CC(=O)[O-])C(O)O)CCC45O)OC3C)OC2C)CC(O)C1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...325c2eb3e282
envipathM:...325c2eb3e282
compound 0245330