MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Flux balance (FBA)
Groups of coupled reactions (GCR)
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Reaction knockout (RKO)
Gene/peptide knockout (PKO)
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Growth recovery (GRE)
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**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
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compound 0288403
Properties
Image
Occurences in reactions
MNX_ID
MNXM1370030
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
31
H
46
N
6
O
7
charge
-2
mass
614.744
reference
envipathM:...f5cd081fc9fe
InChIKey
BCKGKZWBPGTEEJ-UHFFFAOYSA-L
InChI
InChI=1S/C31H48N6O7/c1-18(16-19(2)25(44-5)17-22-10-7-6-8-11-22)13-14-23(20(3)29(40)41)36-28(39)24(12-9-15-35-31(33)34)37-27(38)21(4)26(32)30(42)43/h6-8,10-11,13-14,16,19-21,23-26H,9,12,15,17,32H2,1-5H3,(H,36,39)(H,37,38)(H,40,41)(H,42,43)(H4,33,34,35)/p-2
SMILES
[CH3:1][C:18]([CH:13]=[CH:14][CH:23]([CH:20]([CH3:3])[C:29](=[O:40])[OH:41])[N:36]=[C:28]([CH:24]([CH2:12][CH2:9][CH2:15][NH:35][C:31](=[NH:33])[NH2:34])[N:37]=[C:27]([CH:21]([CH3:4])[CH:26]([C:30](=[O:42])[OH:43])[NH2:32])[OH:38])[OH:39])=[CH:16][CH:19]([CH3:2])[CH:25]([CH2:17][c:22]1[cH:10][cH:7][cH:6][cH:8][cH:11]1)[O:44][CH3:5]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...f5cd081fc9fe
envipathM:...f5cd081fc9fe
compound 0288403