| Properties | Image |
|---|
| MNX_ID | MNXM1132666 |
 |
| reference | metacycM:CPD-23950 |
| formula | C35H63N4O26P |
| global charge | 0 |
| mol weight | 986.865 |
| InChIKey | XPBNLQKYCCSLPO-GGCLNLMQSA-N |
| InChI | InChI=1S/C35H63N4O26P/c1-10-22(47)30(64-35-28(53)27(52)25(50)18(62-35)9-58-66(55,56)57-8-15(46)23(48)14(45)5-40)21(37-11(2)36)34(59-10)65-31-20(39-13(4)44)32(54)60-17(7-42)29(31)63-33-19(38-12(3)43)26(51)24(49)16(6-41)61-33/h10,14-35,40-42,45-54H,5-9H2,1-4H3,(H2,36,37)(H,38,43)(H,39,44)(H,55,56)/t10-,14-,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34-,35+/m0/s1 |
| SMILES | CC(=[NH2+])N[C@@H]1[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H](C)[C@@H](O)[C@H]1O[C@H]1O[C@H](COP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H63N4O26P/c1-10-22(47)30(64-35-28(53)27(52)25(50)18(62-35)9-58-66(55,56)57-8-15(46)23(48)14(45)5-40)21(37-11(2)36)34(59-10)65-31-20(39-13(4)44)32(54)60-17(7-42)29(31)63-33-19(38-12(3)43)26(51)24(49)16(6-41)61-33/h10,14-35,40-42,45-54H,5-9H2,1-4H3,(H2,36,37)(H,38,43)(H,39,44)(H,55,56)/t10-,14-,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34-,35+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@@H:22]([OH:47])[C@@H:30]([O:64][C@@H:35]2[C@H:28]([OH:53])[C@@H:27]([OH:52])[C@@H:25]([OH:50])[C@@H:18]([CH2:9][O:58][P:66]([OH:55])(=[O:56])[O:57][CH2:8][C@H:15]([C@H:23]([C@H:14]([CH2:5][OH:40])[OH:45])[OH:48])[OH:46])[O:62]2)[C@H:21]([NH:37][C:11]([CH3:2])=[NH:36])[C@H:34]([O:65][C@@H:31]2[C@@H:20]([N:39]=[C:13]([CH3:4])[OH:44])[C@H:32]([OH:54])[O:60][C@H:17]([CH2:7][OH:42])[C@H:29]2[O:63][C@H:33]2[C@H:19]([N:38]=[C:12]([CH3:3])[OH:43])[C@@H:26]([OH:51])[C@H:24]([OH:49])[C@@H:16]([CH2:6][OH:41])[O:61]2)[O:59]1 |
|