MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0114980
Properties
Image
Occurences in reactions
MNX_ID
MNXM1199918
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
54
H
94
O
12
charge
0
mass
934.67453
reference
envipathM:...51927c5cbaa7
InChIKey
IMMPTDMSLAGUCZ-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O12/c1-3-5-7-15-24-34-46-47(64-46)35-25-18-13-20-27-37-52(58)61-41-44(63-54(60)45(57)32-23-17-12-10-8-9-11-16-22-30-43(56)31-29-39-55)42-62-53(59)38-28-21-14-19-26-36-49-51(66-49)40-50-48(65-50)33-6-4-2/h9,11,22,30,43-51,55-57H,3-8,10,12-21,23-29,31-42H2,1-2H3
SMILES
CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCCO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...51927c5cbaa7
envipathM:...51927c5cbaa7
compound 0114980