MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0156912
Properties
Image
Occurences in reactions
MNX_ID
MNXM1214812
#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:...9be2f3ea557c
InChIKey
PQDFQWDBYJTMAA-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O13/c1-3-5-6-18-26-34-45-46(65-45)35-27-20-16-22-29-37-48(58)62-40-42(64-54(61)44(57)33-25-19-14-12-10-8-7-9-11-13-15-24-31-39-55)41-63-49(59)38-30-23-17-21-28-36-47-52(66-47)50(60)53-51(67-53)43(56)32-4-2/h7-8,18,26,42-47,50-53,55-57,60H,3-6,9-17,19-25,27-41H2,1-2H3
SMILES
CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CCCCCCCCO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...9be2f3ea557c
envipathM:...9be2f3ea557c
compound 0156912