MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0162270
Properties
Image
Occurences in reactions
MNX_ID
MNXM1227927
#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:...1741aa33ee5d
InChIKey
DOIPIIFHANSUCV-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-21-30-39-53(61)64-44(42-63-52(60)38-29-22-20-26-34-46(57)54-49(66-54)36-27-15-11-8-5-2)41-62-51(59)37-28-18-14-17-25-33-45(56)47(58)40-50-48(65-50)35-9-6-3/h12-13,23,31,43-45,47-50,54-56,58H,4-11,14-22,24-30,32-42H2,1-3H3
SMILES
CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(=O)C1OC1CCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...1741aa33ee5d
envipathM:...1741aa33ee5d
compound 0162270