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12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate
MNXM150196 is deprecated and here replaced by MNXM1101981
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1101981 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
1 |
|
formula | C24H42O10 |
charge | 0 |
mass | 490.2778 |
reference | chebi:176172 |
InChIKey | ZWDYIYOIBZOENK-YZGJGUBNSA-N |
InChI | InChI=1S/C24H42O10/c1-2-3-10-14-17(33-24-21(30)19(28)20(29)22(34-24)23(31)32)16(25)13-11-8-6-4-5-7-9-12-15-18(26)27/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m1/s1 |
SMILES | CCCCC[C@@H](O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)[C@H](O)C/C=C\CCCCCCCC(=O)O |
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Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
CHEBI:176172 chebi:176172
| 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate (2R,3S,4R,5R,6R)-6-[(Z,6R,7R)-17-carboxy-7-hydroxyheptadec-9-en-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
hmdb:HMDB0060119
| 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate (2R,3S,4R,5R,6R)-6-{[(6R,7R,9Z)-17-carboxy-7-hydroxyheptadec-9-en-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoic acid
|
bigg.metabolite:CE2306 biggM:CE2306
| 12-O-D-glucuronoside-13-hydroxyoctadec-9Z-enoate
|
hmdb:HMDB60119 biggM:M_CE2306
| secondary/obsolete/fantasy identifier
|