| Properties | Image |
|---|
| MNX_ID | MNXM92985 |
 |
| reference | metacycM:CPD-10790 |
| formula | C20H39N3O16P |
| global charge | 1 |
| mol weight | 608.511 |
| InChIKey | SYTZKXOAVUXHFS-JEXNNBSLSA-O |
| InChI | InChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/p+1/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1 |
| SMILES | C[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H]([C@H]([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][NH:23][C@H:7]1[CH2:2][C@@H:5]([NH2:21])[C@H:9]([OH:26])[C@@H:15]([O:35][C@H:19]2[C@@H:17]3[C@H:16]([C@@H:10]([OH:27])[C@@H:8]([CH2:4][OH:25])[O:34]2)[O:37][C:20]2([C@H:18]([OH:30])[C@@H:12]([OH:29])[C@@H:11]([OH:28])[C@@H:13]([C@@H:6]([CH2:3][OH:24])[NH2:22])[O:36]2)[O:38]3)[C@@H:14]1[O:39][P:40]([OH:31])([OH:32])=[O:33] |
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