| Properties | Image |
| MNX_ID | MNXM1134006 |
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| 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 |
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| SMILES (mnx) | [13CH3:1][C:18]([CH3:2])([CH2:10][O:33][O:34]([OH:30])(=[O:31])[O:32][CH2:9][CH:11]([C:8](=[NH:24])[PH2:36])[CH2:19][SH:37])[CH:15]([C:16]([NH:23][13CH2:4][CH2:3][C:14]([NH:22][CH2:5][CH2:6][O:35][C:17]([C@H:12]([CH2:7][C:13]([NH2:21])=[NH:25])[CH3:20])=[O:29])=[O:26])=[O:28])[OH:27] |
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