MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0156114
Properties
Image
Occurences in reactions
MNX_ID
MNXM1204001
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
54
H
94
O
13
charge
0
mass
950.66944
reference
envipathM:...0fe9bc4e3a33
InChIKey
HMPBVQSSBGLJCG-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(62)66-44(43-65-54(63)48(59)36-27-24-23-26-34-46(57)45(56)33-25-19-8-6-4-2)42-64-52(61)38-29-22-18-20-28-37-50-51(67-50)41-49(60)47(58)35-31-32-40-55/h9-10,12-13,19,25,44-48,50-51,55-59H,3-8,11,14-18,20-24,26-43H2,1-2H3
SMILES
CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCCO)COC(=O)C(O)CCCCCCC(O)C(O)CC=CCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...0fe9bc4e3a33
envipathM:...0fe9bc4e3a33
compound 0156114