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2-oxohept-3-enedioate
MNXM162400 is deprecated and here replaced by MNXM1371110
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1371110 |
 |
| reference | chebi:17205 |
| formula | C7H6O5 |
| global charge | -2 |
| mol weight | 170.12 |
| InChIKey | HYVSZVZMTYIHKF-UHFFFAOYSA-L |
| InChI | InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/p-2 |
| SMILES | O=C([O-])CCC=CC(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/b3-1? |
 |
| SMILES (mnx) | [CH:1]([CH2:2][CH2:4][C:6](=[O:9])[OH:10])=[CH:3][C:5]([C:7]([OH:11])=[O:12])=[O:8] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
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