| Properties | Image |
|---|
| MNX_ID | MNXM1069 |
 |
| reference | chebi:59085 |
| formula | C53H92N2O27P2 |
| global charge | 0 |
| mol weight | 1251.254 |
| InChIKey | ICYFCNYPVWLQIE-DFLWHISNSA-N |
| InChI | InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-74-83(69,70)82-84(71,72)81-51-39(55-33(8)60)43(64)48(36(25-58)77-51)79-50-38(54-32(7)59)42(63)49(35(24-57)76-50)80-53-47(68)45(66)41(62)37(78-53)26-73-52-46(67)44(65)40(61)34(23-56)75-52/h13,15,17,19,31,34-53,56-58,61-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,59)(H,55,60)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19+/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51?,52+,53+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(OP(=O)(O)OP(=O)(O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-74-83(69,70)82-84(71,72)81-51-39(55-33(8)60)43(64)48(36(25-58)77-51)79-50-38(54-32(7)59)42(63)49(35(24-57)76-50)80-53-47(68)45(66)41(62)37(78-53)26-73-52-46(67)44(65)40(61)34(23-56)75-52/h13,15,17,19,31,34-53,56-58,61-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,59)(H,55,60)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19+/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51?,52+,53+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:27]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:28]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:29]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:30]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:31]([CH3:6])[CH2:21][CH2:22][O:74][P:83]([OH:69])(=[O:70])[O:82][P:84]([OH:71])(=[O:72])[O:81][CH:51]1[C@H:39]([N:55]=[C:33]([CH3:8])[OH:60])[C@@H:43]([OH:64])[C@H:48]([O:79][C@H:50]2[C@H:38]([N:54]=[C:32]([CH3:7])[OH:59])[C@@H:42]([OH:63])[C@H:49]([O:80][C@H:53]3[C@@H:47]([OH:68])[C@@H:45]([OH:66])[C@H:41]([OH:62])[C@@H:37]([CH2:26][O:73][C@@H:52]4[C@@H:46]([OH:67])[C@@H:44]([OH:65])[C@H:40]([OH:61])[C@@H:34]([CH2:23][OH:56])[O:75]4)[O:78]3)[C@@H:35]([CH2:24][OH:57])[O:76]2)[C@@H:36]([CH2:25][OH:58])[O:77]1 |
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