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 0219917
Properties
Image
Occurences in reactions
MNX_ID
MNXM1291194
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
29
H
52
NO
12
charge
-1
mass
606.3495
reference
envipathM:...12f400d26412
InChIKey
INRJNMGWCDFXKR-ZGNCHHNBSA-M
InChI
InChI=1S/C29H53NO12/c1-11-19(31)27(7,38)22(33)17(4)21(32)15(2)12-26(6,37)24(18(5)23(34)28(8,39)25(35)36)42-20-14-29(40,30(9)10)13-16(3)41-20/h15-20,22,24,31,33,37-40H,11-14H2,1-10H3,(H,35,36)/p-1/t15-,16-,17+,18+,19-,20+,22-,24-,26-,27-,28+,29-/m1/s1
SMILES
CC[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]1C[C@@](O)(N(C)C)C[C@@H](C)O1)[C@@H](C)C(=O)[C@](C)(O)C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...7792054c7af9
envipathM:...7792054c7af9
envipath:...12f400d26412
envipathM:...12f400d26412
compound 0219917