MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0153519
Properties
Image
Occurences in reactions
MNX_ID
MNXM1242817
#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:...b7d133fa5f84
InChIKey
LFUREDFWBYPLIN-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O13/c1-4-7-10-11-12-13-14-15-16-17-18-19-22-30-37-50(59)64-41(39-62-49(58)36-29-23-20-21-28-35-46-53(66-46)51(60)42(55)31-25-8-5-2)40-63-54(61)44(57)33-27-24-26-32-43(56)52-48(67-52)38-47-45(65-47)34-9-6-3/h11-12,14-15,41-48,51-53,55-57,60H,4-10,13,16-40H2,1-3H3
SMILES
CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C(O)CCCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...b7d133fa5f84
envipathM:...b7d133fa5f84
compound 0153519