MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0199164
Properties
Image
Occurences in reactions
MNX_ID
MNXM1325431
#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:...bedf55439780
InChIKey
PMARDZJWGNPZAJ-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(60)64-43(41-62-50(58)37-30-25-21-23-28-34-45(56)44(55)33-27-22-11-8-5-2)42-63-51(59)38-32-26-29-35-46(57)53(61)54-49(66-54)40-48-47(65-48)36-9-6-3/h12-13,15-16,43-49,54-57H,4-11,14,17-42H2,1-3H3
SMILES
CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCCC)COC(=O)CCCCCC(O)C(=O)C1OC1CC1OC1CCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...bedf55439780
envipathM:...bedf55439780
compound 0199164