| Properties | Image |
|---|
| MNX_ID | MNXM1134006 |
 |
| reference | metacycM:Asn-ClbN-PKS |
| formula | C18H32N5O10PS*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H]([NH3+])CC(N)=O)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C20H38N5O10PS/c1-12(26)14(23-4)10-34-36(32,33)35-11-20(2,3)17(29)18(30)25-6-5-16(28)24-7-8-37-19(31)13(21)9-15(22)27/h13-14,17,23,29H,5-11,21H2,1-4H3,(H2,22,27)(H,24,28)(H,25,30)(H,32,33)/t13-,14-,17-/m0/s1/i1+1,4+1 |
 |
| SMILES (mnx) | [13CH3:1][C:12]([C@H:14]([CH2:10][O:34][P:36]([OH:32])(=[O:33])[O:35][CH2:11][C:20]([CH3:2])([CH3:3])[C@H:17]([C:18](=[N:25][CH2:6][CH2:5][C:16](=[N:24][CH2:7][CH2:8][S:37][C:19]([C@H:13]([CH2:9][C:15](=[NH:22])[OH:27])[NH2:21])=[O:31])[OH:28])[OH:30])[OH:29])[NH:23][13CH3:4])=[O:26] |
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