MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0147072
Properties
Image
Occurences in reactions
MNX_ID
MNXM1330973
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
54
H
94
O
12
charge
0
mass
934.67453
reference
envipathM:...8fede79b6f27
InChIKey
PDBVGNBZGQEAJT-UHFFFAOYSA-N
InChI
InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-22-29-35-46(57)53(60)54(61)64-43(41-62-51(58)38-31-25-19-23-28-34-45(56)44(55)33-27-21-11-8-5-2)42-63-52(59)39-32-26-20-24-30-37-48-50(66-48)40-49-47(65-49)36-9-6-3/h12-13,21,27,43-44,46-50,53,55,57,60H,4-11,14-20,22-26,28-42H2,1-3H3
SMILES
CCCCC=CCCCCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...8fede79b6f27
envipathM:...8fede79b6f27
compound 0147072