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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compound 0218758
Properties
Image
Occurences in reactions
MNX_ID
MNXM1163202
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
36
H
66
NO
16
charge
-1
mass
768.43871
reference
envipathM:...00a2f914d62f
InChIKey
GAMZUVUSDISMFQ-XRUOXHNBSA-M
InChI
InChI=1S/C36H67NO16/c1-16(25(40)17(2)28(42)36(9,49)29(43)20(5)39)13-35(8,48)31(53-33-26(41)23(37(10)11)12-22(15-38)51-33)18(3)27(19(4)32(45)46)52-24-14-34(7,47)30(44)21(6)50-24/h16-24,26-31,33,38-39,41-44,47-49H,12-15H2,1-11H3,(H,45,46)/p-1/t16-,17+,18+,19-,20?,21+,22+,23+,24+,26-,27+,28-,29-,30+,31-,33+,34-,35-,36+/m1/s1
SMILES
CC(O)[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](CO)C[C@H](N(C)C)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(O)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...00a2f914d62f
envipathM:...00a2f914d62f
envipath:...2bae1fd6f57a
envipathM:...2bae1fd6f57a
compound 0218758