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 0219098
Properties
Image
Occurences in reactions
MNX_ID
MNXM1313583
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
37
H
67
NO
17
charge
0
mass
797.4409
reference
envipathM:...aa4e96b8042b
InChIKey
LPCOXKJGTSTPLN-AKFBOAPPSA-N
InChI
InChI=1S/C37H67NO17/c1-17-13-22(38(10)11)25(42)29(51-17)55-30-33(5,46)14-21(16-39)24(41)18(2)26(43)35(7,47)28(19(3)40)54-32(45)37(9,49)31(36(30,8)48)53-23-15-34(6,50-12)27(44)20(4)52-23/h17-23,25-31,39-40,42-44,46-49H,13-16H2,1-12H3/t17-,18+,19?,20+,21+,22+,23+,25-,26-,27+,28-,29+,30+,31+,33-,34-,35+,36+,37+/m1/s1
SMILES
CO[C@]1(C)C[C@H](O[C@@H]2[C@](C)(O)C(=O)O[C@H](C(C)O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](CO)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@]2(C)O)O[C@@H](C)[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...a70c49f554a0
envipathM:...a70c49f554a0
envipath:...aa4e96b8042b
envipathM:...aa4e96b8042b
compound 0219098