| Properties | Image | Occurences in reactions |
MNX_ID | MNXM105460 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C16H20N3O9S |
charge | -1 |
mass | 430.09257 |
reference | metacycM:CPD0-2514 |
InChIKey | ZVVUBKUWWRJUCX-YUMQZZPRSA-M |
InChI | InChI=1S/C16H21N3O9S/c17-7(16(27)28)1-2-13(23)19-8(15(26)18-5-14(24)25)6-29-12-4-10(21)9(20)3-11(12)22/h3-4,7-8,20-22H,1-2,5-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/p-1/t7-,8-/m0/s1 |
SMILES | [NH3+][C@@H](CCC(=O)N[C@@H](CSc1cc(O)c(O)cc1O)C(=O)NCC(=O)[O-])C(=O)[O-] |
|