MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0171818
Properties
Image
Occurences in reactions
MNX_ID
MNXM1216227
#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:...34ef62270595
InChIKey
DOIOKGWAXWUSSL-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-53(61)64-44(42-62-51(59)37-29-22-17-19-27-35-48-49(65-48)36-28-20-18-25-32-40-55)43-63-52(60)38-30-24-23-26-34-46(57)54-50(66-54)41-47(58)45(56)33-6-4-2/h11-12,20,28,44-45,47-50,54-56,58H,3-10,13-19,21-27,29-43H2,1-2H3
SMILES
CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCC(=O)C1OC1CC(O)C(O)CCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...34ef62270595
envipathM:...34ef62270595
compound 0171818