MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0144862
Properties
Image
Occurences in reactions
MNX_ID
MNXM1152907
#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:...f4173ac410c6
InChIKey
PKNNHUARYAKMKS-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O13/c1-3-5-6-18-26-34-46-54(66-46)52(61)43(56)32-24-23-29-36-50(59)63-41-42(64-51(60)37-28-20-15-13-11-9-7-8-10-12-14-16-22-30-38-55)40-62-49(58)35-27-21-17-19-25-33-45-47(65-45)39-48-53(67-48)44(57)31-4-2/h12,14,18,26,42-48,52-57,61H,3-11,13,15-17,19-25,27-41H2,1-2H3
SMILES
CCCCC=CCC1OC1C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCCCCC=CCCCCO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...f4173ac410c6
envipathM:...f4173ac410c6
compound 0144862