MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0184394
Properties
Image
Occurences in reactions
MNX_ID
MNXM1314635
#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:...5270245dd306
InChIKey
JYSNOERBIPTLEB-UHFFFAOYSA-N
InChI
InChI=1S/C54H96O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-52(62)65-43(41-63-50(60)36-28-21-16-18-25-33-44(56)45(57)34-26-19-17-24-31-39-55)42-64-51(61)37-29-23-22-27-35-47(59)54-49(67-54)40-48-53(66-48)46(58)32-4-2/h7-8,10-11,43-49,53-59H,3-6,9,12-42H2,1-2H3
SMILES
CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCCCO)COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...5270245dd306
envipathM:...5270245dd306
compound 0184394