| Properties | Image |
|---|
| MNX_ID | MNXM1180461 |
 |
| reference | envipathM:...f49448bd719e |
| formula | C17H31NO9 |
| global charge | -2 |
| mol weight | 393.433 |
| InChIKey | WCMVLUKSCIEGLX-UHFFFAOYSA-L |
| InChI | InChI=1S/C17H33NO9/c1-12(17(26,16(24)25)10-15(22)23)4-2-3-5-13(20)14(21)11-18-6-8-27-9-7-19/h12-14,18-21,26H,2-11H2,1H3,(H,22,23)(H,24,25)/p-2 |
| SMILES | CC(CCCCC(O)C(O)CNCCOCCO)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H33NO9/c1-12(17(26,16(24)25)10-15(22)23)4-2-3-5-13(20)14(21)11-18-6-8-27-9-7-19/h12-14,18-21,26H,2-11H2,1H3,(H,22,23)(H,24,25)/t12?,13?,14?,17? |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH2:4][CH2:2][CH2:3][CH2:5][CH:13]([CH:14]([CH2:11][NH:18][CH2:6][CH2:8][O:27][CH2:9][CH2:7][OH:19])[OH:21])[OH:20])[C:17]([CH2:10][C:15](=[O:22])[OH:23])([C:16](=[O:24])[OH:25])[OH:26] |
|