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 0217036
Properties
Image
Occurences in reactions
MNX_ID
MNXM1350883
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
36
H
67
NO
12
charge
0
mass
705.46633
reference
envipathM:...24249307fc04
InChIKey
QHYTUCIDKOYBGR-PBVREUQUSA-N
InChI
InChI=1S/C36H67NO12/c1-14-26(39)19(3)17-35(9,43)32(49-34-29(40)25(37(11)12)16-20(4)45-34)21(5)30(22(6)33(42)47-27(15-2)23(7)38)48-28-18-36(10,44-13)31(41)24(8)46-28/h19-25,27-32,34,38,40-41,43H,14-18H2,1-13H3/t19-,20-,21+,22-,23?,24+,25+,27-,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1
SMILES
CCC(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)C(C)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...24249307fc04
envipathM:...24249307fc04
compound 0217036