| Properties | Image |
|---|
| MNX_ID | MNXM739171 |
 |
| reference | sabiorkM:7656 |
| formula | C43H70N10O27P2 |
| global charge | 0 |
| mol weight | 1221.024 |
| InChIKey | OARWMRNIFSBLEH-STPSCMRYSA-N |
| InChI | InChI=1S/C43H70N10O27P2/c1-17(34(61)48-20(4)41(68)69)47-37(64)23(9-7-8-13-44)51-38(65)24(10-11-27(56)45-19(3)40(66)67)50-35(62)18(2)46-36(63)21(5)76-33-29(49-22(6)55)42(78-25(15-54)31(33)59)79-82(73,74)80-81(71,72)75-16-26-30(58)32(60)39(77-26)53-14-12-28(57)52-43(53)70/h12,14,17-21,23-26,29-33,39,42,54,58-60H,7-11,13,15-16,44H2,1-6H3,(H,45,56)(H,46,63)(H,47,64)(H,48,61)(H,49,55)(H,50,62)(H,51,65)(H,66,67)(H,68,69)(H,71,72)(H,73,74)(H,52,57,70)/t17-,18+,19+,20-,21?,23+,24-,25-,26-,29-,30-,31-,32-,33-,39-,42-/m1/s1 |
| SMILES | CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)C(O)=N[C@@H](C)C(O)=N[C@H](CCC(O)=N[C@@H](C)C(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C)C(O)=N[C@H](C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C43H70N10O27P2/c1-17(34(61)48-20(4)41(68)69)47-37(64)23(9-7-8-13-44)51-38(65)24(10-11-27(56)45-19(3)40(66)67)50-35(62)18(2)46-36(63)21(5)76-33-29(49-22(6)55)42(78-25(15-54)31(33)59)79-82(73,74)80-81(71,72)75-16-26-30(58)32(60)39(77-26)53-14-12-28(57)52-43(53)70/h12,14,17-21,23-26,29-33,39,42,54,58-60H,7-11,13,15-16,44H2,1-6H3,(H,45,56)(H,46,63)(H,47,64)(H,48,61)(H,49,55)(H,50,62)(H,51,65)(H,66,67)(H,68,69)(H,71,72)(H,73,74)(H,52,57,70)/t17-,18+,19+,20-,21?,23+,24-,25-,26-,29-,30-,31-,32-,33-,39-,42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:17]([C:34](=[N:48][C@H:20]([CH3:4])[C:41](=[O:68])[OH:69])[OH:61])[N:47]=[C:37]([C@H:23]([CH2:9][CH2:7][CH2:8][CH2:13][NH2:44])[N:51]=[C:38]([C@@H:24]([CH2:10][CH2:11][C:27](=[N:45][C@@H:19]([CH3:3])[C:40](=[O:66])[OH:67])[OH:56])[N:50]=[C:35]([C@H:18]([CH3:2])[N:46]=[C:36]([CH:21]([CH3:5])[O:76][C@@H:33]1[C@@H:29]([N:49]=[C:22]([CH3:6])[OH:55])[C@@H:42]([O:79][P:82]([OH:73])(=[O:74])[O:80][P:81]([OH:71])(=[O:72])[O:75][CH2:16][C@@H:26]2[C@@H:30]([OH:58])[C@@H:32]([OH:60])[C@H:39]([N:53]3[CH:14]=[CH:12][C:28]([OH:57])=[N:52][C:43]3=[O:70])[O:77]2)[O:78][C@H:25]([CH2:15][OH:54])[C@H:31]1[OH:59])[OH:63])[OH:62])[OH:65])[OH:64] |
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