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)
Align mnet
new
Create / Modify
Combine logically
Split and merge
Growth recovery (GRE)
Build from a genome (BUILD)
Revived!
Inspect chem
new
Utilities
Search/Download MNXref namespace
MNXref ID mapper
SPARQL query
Reset session
Documents
Getting started
A short tutorial
Model internals
About
help [AT] metanetx.org
Info / How to cite
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
Feedback
des-acyl avenacin A
Properties
Image
Occurences in reactions
MNX_ID
MNXM146544
#reac
in my sandbox
0
in MNXref (generic)
10
in models (compartimentalized)
0
formula
C
47
H
76
O
20
charge
0
mass
961.105
reference
seedM:cpd31839
InChIKey
WDHZXDLRQGPOGR-WGJSNZCWSA-N
InChI
InChI=1S/C47H76O20/c1-41(18-50)12-25-43(3,13-26(41)52)27(53)14-46(6)45(5)10-7-23-42(2,24(45)11-29-47(25,46)67-29)9-8-28(44(23,4)19-51)65-40-37(66-39-36(60)34(58)31(55)21(16-49)63-39)32(56)22(17-61-40)64-38-35(59)33(57)30(54)20(15-48)62-38/h18,20-40,48-49,51-60H,7-17,19H2,1-6H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46+,47-/m1/s1
SMILES
[CH3:1][C@@:41]1([CH:18]=[O:50])[CH2:12][C@@H:25]2[C@:43]([CH3:3])([CH2:13][C@@H:26]1[OH:52])[C@@H:27]([OH:53])[CH2:14][C@@:46]1([CH3:6])[C@:45]3([CH3:5])[CH2:10][CH2:7][C@@H:23]4[C@:42]([CH3:2])([CH2:9][CH2:8][C@H:28]([O:65][C@H:40]5[C@H:37]([O:66][C@H:39]6[C@H:36]([OH:60])[C@@H:34]([OH:58])[C@H:31]([OH:55])[C@@H:21]([CH2:16][OH:49])[O:63]6)[C@@H:32]([OH:56])[C@@H:22]([O:64][C@H:38]6[C@H:35]([OH:59])[C@@H:33]([OH:57])[C@H:30]([OH:54])[C@@H:20]([CH2:15][OH:48])[O:62]6)[CH2:17][O:61]5)[C@@:44]4([CH3:4])[CH2:19][OH:51])[C@H:24]3[CH2:11][C@@H:29]3[C@:47]21[O:67]3
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-16623
metacycM:CPD-16623
seed.compound:cpd31839
seedM:cpd31839
des-acyl avenacin A
seedM:M_cpd31839
secondary/obsolete/fantasy identifier