MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0173807
Properties
Image
Occurences in reactions
MNX_ID
MNXM1281110
#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:...055589a95a6c
InChIKey
XMLGMHBSHOZEHI-UHFFFAOYSA-N
InChI
InChI=1S/C54H96O13/c1-3-5-6-9-20-33-48-49(66-48)34-21-10-7-12-23-36-52(60)63-41-45(65-54(62)38-25-15-14-17-30-44(57)31-19-16-18-29-43(56)28-4-2)42-64-53(61)37-24-13-8-11-22-35-50-51(67-50)40-47(59)46(58)32-26-27-39-55/h9,18,20,29,43-51,55-59H,3-8,10-17,19,21-28,30-42H2,1-2H3
SMILES
CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO)OC(=O)CCCCCCC(O)CCCC=CC(O)CCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...055589a95a6c
envipathM:...055589a95a6c
compound 0173807