MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0113565
Properties
Image
Occurences in reactions
MNX_ID
MNXM1283555
#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:...bed2d4ffd529
InChIKey
CDTWLZVYUWOKDI-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O12/c1-4-7-9-15-24-33-48-49(65-48)34-25-18-14-21-27-36-53(60)63-42-45(64-54(61)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)41-62-52(59)35-26-20-13-17-23-31-46(57)47(58)40-51-50(66-51)32-8-5-2/h15,22,24,30,38-39,43-51,55-58H,4-14,16-21,23,25-29,31-37,40-42H2,1-3H3
SMILES
CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...bed2d4ffd529
envipathM:...bed2d4ffd529
compound 0113565