MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0198340
Properties
Image
Occurences in reactions
MNX_ID
MNXM1357383
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
54
H
96
O
13
charge
0
mass
952.68509
reference
envipathM:...bed5b870c487
InChIKey
IAYPMVIIHMSYPE-UHFFFAOYSA-N
InChI
InChI=1S/C54H96O13/c1-3-5-7-12-24-34-48-49(66-48)35-25-14-11-16-27-37-52(60)63-41-44(65-53(61)38-28-15-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)42-64-54(62)46(58)33-23-17-18-26-36-50-51(67-50)40-47(59)45(57)32-6-4-2/h12,22,24,31,43-51,55-59H,3-11,13-21,23,25-30,32-42H2,1-2H3
SMILES
CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCCCC(O)C=CCCCCO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...bed5b870c487
envipathM:...bed5b870c487
compound 0198340