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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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an arabinoxylan
Properties
Image
MNX_ID
MNXM726511
reference
metacycM:Arabinoxylan
formula
C
35
H
56
O
29
*
2
global charge
0
mol weight
InChIKey
InChI
SMILES
[*]O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[*])[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H]1O
MNX internals
InChI (mnx)
InChI=1/C37H62O29/c1-52-13-6-55-32(22(46)20(13)44)63-16-9-57-37(30(66-36-26(50)19(43)12(5-40)60-36)29(16)65-35-25(49)18(42)11(4-39)59-35)61-14-7-56-33(23(47)21(14)45)62-15-8-54-31(53-2)27(51)28(15)64-34-24(48)17(41)10(3-38)58-34/h10-51H,3-9H2,1-2H3/t10-,11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-/m0/s1/i1+1,2+1
SMILES (mnx)
[13CH3:1][O:52][C@@H:13]1[CH2:6][O:55][C@@H:32]([O:63][C@@H:16]2[CH2:9][O:57][C@@H:37]([O:61][C@@H:14]3[CH2:7][O:56][C@@H:33]([O:62][C@@H:15]4[CH2:8][O:54][C@@H:31]([O:53][13CH3:2])[C@H:27]([OH:51])[C@H:28]4[O:64][C@H:34]4[C@H:24]([OH:48])[C@@H:17]([OH:41])[C@H:10]([CH2:3][OH:38])[O:58]4)[C@H:23]([OH:47])[C@H:21]3[OH:45])[C@H:30]([O:66][C@H:36]3[C@H:26]([OH:50])[C@@H:19]([OH:43])[C@H:12]([CH2:5][OH:40])[O:60]3)[C@H:29]2[O:65][C@H:35]2[C@H:25]([OH:49])[C@@H:18]([OH:42])[C@H:11]([CH2:4][OH:39])[O:59]2)[C@H:22]([OH:46])[C@H:20]1[OH:44]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:Arabinoxylan
metacycM:Arabinoxylan
an arabinoxylan
AX
seed.compound:cpd22387
seedM:cpd22387
Arabinoxylan
seedM:M_cpd22387
secondary/obsolete/fantasy identifier