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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Fucoxanthinol 3-oleate 3'-palmitoleate
Properties
Image
Occurences in reactions
MNX_ID
MNXM1112423
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
74
H
116
O
7
charge
0
mass
1116.87211
reference
lipidmapsM:LMPR01070336
InChIKey
NIJXVFJGRRKJAV-XZGCACQGSA-N
InChI
InChI=1S/C74H116O7/c1-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-52-69(77)80-65-56-71(9,10)74(73(12,58-65)81-74)59-66(75)63(6)50-44-49-61(4)46-42-41-45-60(3)47-43-48-62(5)53-54-67-70(7,8)55-64(57-72(67,11)78)79-68(76)51-39-37-35-33-31-29-26-24-22-20-18-16-14-2/h24,26-28,41-50,53,64-65,78H,13-23,25,29-40,51-52,55-59H2,1-12H3/b26-24-,28-27-,42-41+,47-43+,49-44+,60-45+,61-46+,62-48+,63-50+/t54?,64-,65-,72+,73+,74-/m0/s1
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC3(C)C)[C@](C)(O)C1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
lipidmaps:LMPR01070336
lipidmapsM:LMPR01070336
Fucoxanthinol 3-oleate 3'-palmitoleate
16:1FOH18:1
Fucoxanthinol 3-(9Z-octadecenoate) 3'-(9Z-hexadecenoate)