| Properties | Image |
|---|
| MNX_ID | MNXM161075 |
 |
| reference | keggD:D02181 |
| formula | C38H84N10O34S5 |
| global charge | 0 |
| mol weight | 1385.461 |
| InChIKey | CIKNYWFPGZCHDL-ZHFUJENKSA-N |
| InChI | InChI=1S/2C19H37N5O7.5H2O4S/c2*1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;;;;;/m11...../s1 |
| SMILES | CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O |
MNX internals
| InChI (mnx) | InChI=1/2C19H37N5O7.5H2O4S/c2*1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;;;;;/m11...../s1 |
 |
| SMILES (mnx) | [CH3:1][C@:19]1([OH:27])[CH2:7][O:28][C@H:18]([O:31][C@H:15]2[C@H:11]([NH2:23])[CH2:5][C@H:10]([NH2:22])[C@@H:14]([O:30][C@@H:17]3[C@H:9]([NH2:21])[CH2:4][CH:3]=[C:8]([CH2:6][NH2:20])[O:29]3)[C@@H:12]2[OH:25])[C@H:13]([OH:26])[C@H:16]1[NH:24][CH3:2].[CH3:32][C@:50]1([OH:58])[CH2:38][O:59][C@H:49]([O:62][C@H:46]2[C@H:42]([NH2:54])[CH2:36][C@H:41]([NH2:53])[C@@H:45]([O:61][C@@H:48]3[C@H:40]([NH2:52])[CH2:35][CH:34]=[C:39]([CH2:37][NH2:51])[O:60]3)[C@@H:43]2[OH:56])[C@H:44]([OH:57])[C@H:47]1[NH:55][CH3:33].[OH:63][S:67]([OH:64])(=[O:65])=[O:66].[OH:68][S:72]([OH:69])(=[O:70])=[O:71].[OH:73][S:77]([OH:74])(=[O:75])=[O:76].[OH:78][S:82]([OH:79])(=[O:80])=[O:81].[OH:83][S:87]([OH:84])(=[O:85])=[O:86] |
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