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Trans-Hex-2-enoyl-[acyl-carrier protein]
MNXM24502 is deprecated and here replaced by MNXM728713
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM728713 |
 |
| reference | biggM:thex2eACP |
| formula | C17H29N2O8PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCC |
MNX internals
| InChI (mnx) | InChI=1/C18H33N2O8PS/c1-5-6-7-8-15(22)30-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-28-29(25,26)27-4/h7-8,16,23H,5-6,9-13H2,1-4H3,(H,19,21)(H,20,24)(H,25,26)/b8-7+/t16?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6]/[CH:7]=[CH:8]/[C:15](=[O:22])[S:30][CH2:12][CH2:11][N:19]=[C:14]([CH2:9][CH2:10][N:20]=[C:17]([CH:16]([C:18]([CH3:2])([CH3:3])[CH2:13][O:28][P:29]([OH:25])(=[O:26])[O:27][13CH3:4])[OH:23])[OH:24])[OH:21] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
5 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
bigg.metabolite:thex2eACP
biggM:thex2eACP
| Trans-Hex-2-enoyl-[acyl-carrier protein]
|
biggM:M_thex2eACP
| secondary/obsolete/fantasy identifier
|