| Properties | Image |
|---|
| MNX_ID | MNXM41187 |
 |
| reference | chebi:60565 |
| formula | C28H49N2O26P |
| global charge | 0 |
| mol weight | 860.662 |
| InChIKey | CUYUOZMVFSEFMF-XMWKXEIYSA-N |
| InChI | InChI=1S/C28H49N2O26P/c29-13-19(40)17(38)12(51-23(13)49-5-11-16(37)20(41)14(30)24(52-11)56-57(46,47)48)6-50-27(25(42)43)2-10(18(39)22(54-27)9(35)4-32)53-28(26(44)45)1-7(33)15(36)21(55-28)8(34)3-31/h7-24,31-41H,1-6,29-30H2,(H,42,43)(H,44,45)(H2,46,47,48)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,27-,28-/m1/s1 |
| SMILES | N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](N)[C@@H](O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H49N2O26P/c29-13-19(40)17(38)12(51-23(13)49-5-11-16(37)20(41)14(30)24(52-11)56-57(46,47)48)6-50-27(25(42)43)2-10(18(39)22(54-27)9(35)4-32)53-28(26(44)45)1-7(33)15(36)21(55-28)8(34)3-31/h7-24,31-41H,1-6,29-30H2,(H,42,43)(H,44,45)(H2,46,47,48)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@@H:7]([OH:33])[C@@H:15]([OH:36])[C@@H:21]([C@@H:8]([CH2:3][OH:31])[OH:34])[O:55][C@:28]1([C:26](=[O:44])[OH:45])[O:53][C@@H:10]1[CH2:2][C@@:27]([C:25](=[O:42])[OH:43])([O:50][CH2:6][C@@H:12]2[C@@H:17]([OH:38])[C@H:19]([OH:40])[C@@H:13]([NH2:29])[C@H:23]([O:49][CH2:5][C@@H:11]3[C@@H:16]([OH:37])[C@H:20]([OH:41])[C@@H:14]([NH2:30])[C@@H:24]([O:56][P:57]([OH:46])([OH:47])=[O:48])[O:52]3)[O:51]2)[O:54][C@H:22]([C@@H:9]([CH2:4][OH:32])[OH:35])[C@@H:18]1[OH:39] |
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