MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0169779
Properties
Image
Occurences in reactions
MNX_ID
MNXM1329173
#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:...e450fb04ec5e
InChIKey
VLLJGCWQFSXVJU-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O13/c1-4-7-10-12-13-16-22-30-41(55)31-23-21-25-33-44(57)54(61)64-42(40-63-53(60)43(56)32-24-19-20-27-36-46-45(65-46)35-26-15-11-8-5-2)39-62-49(58)38-29-18-14-17-28-37-48-52(67-48)50(59)51-47(66-51)34-9-6-3/h12-13,15,26,41-48,50-52,55-57,59H,4-11,14,16-25,27-40H2,1-3H3
SMILES
CCCCC=CCCCC(O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...e450fb04ec5e
envipathM:...e450fb04ec5e
compound 0169779