MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0137819
Properties
Image
Occurences in reactions
MNX_ID
MNXM1149250
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
54
H
88
O
12
charge
0
mass
928.62758
reference
envipathM:...5a394479cc3f
InChIKey
FXDNQCCATRKCLB-UHFFFAOYSA-N
InChI
InChI=1S/C54H88O12/c1-2-3-32-48-50(65-48)41-51-49(66-51)35-24-12-8-16-26-37-53(59)62-43-45(63-54(60)38-27-14-6-4-5-10-20-30-44(57)31-21-17-19-29-40-56)42-61-52(58)36-25-15-7-11-22-33-46-47(64-46)34-23-13-9-18-28-39-55/h13,20-21,23,30-31,39,45-51,56H,2-12,14-19,22,24-29,32-38,40-43H2,1H3
SMILES
CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)OC(=O)CCCCCCCC=CC(=O)C=CCCCCO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...5a394479cc3f
envipathM:...5a394479cc3f
compound 0137819