| Properties | Image |
|---|
| MNX_ID | MNXM7931 |
 |
| reference | biggM:m4mpdol_U |
| formula | C71H120N2O42P2 |
| global charge | -2 |
| mol weight | 1735.661 |
| InChIKey | HYYPTQKNNHAOBO-POZNVQOCSA-L |
| InChI | InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/p-2/b31-15+,32-17+,33-19-/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/b31-15+,32-17+,33-19-/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:31]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:32]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:33]([CH3:5])=[CH:19]\[CH2:12][CH2:20][CH:34]([CH3:6])[CH2:21][CH2:22][O:101][P:116]([OH:96])(=[O:97])[O:115][P:117]([OH:98])(=[O:99])[O:114][C@@H:66]1[C@H:45]([N:73]=[C:36]([CH3:8])[OH:81])[C@@H:52]([OH:88])[C@H:60]([O:109][C@H:65]2[C@H:44]([N:72]=[C:35]([CH3:7])[OH:80])[C@@H:51]([OH:87])[C@H:61]([O:110][C@H:69]3[C@@H:59]([OH:95])[C@@H:62]([O:111][C@@H:70]4[C@@H:64]([O:113][C@@H:71]5[C@@H:63]([O:112][C@H:68]6[C@@H:58]([OH:94])[C@@H:54]([OH:90])[C@H:47]([OH:83])[C@@H:38]([CH2:24][OH:75])[O:103]6)[C@@H:55]([OH:91])[C@H:48]([OH:84])[C@@H:40]([CH2:26][OH:77])[O:105]5)[C@@H:56]([OH:92])[C@H:49]([OH:85])[C@@H:39]([CH2:25][OH:76])[O:104]4)[C@H:50]([OH:86])[C@@H:43]([CH2:29][O:100][C@@H:67]4[C@@H:57]([OH:93])[C@@H:53]([OH:89])[C@H:46]([OH:82])[C@@H:37]([CH2:23][OH:74])[O:102]4)[O:108]3)[C@@H:41]([CH2:27][OH:78])[O:106]2)[C@@H:42]([CH2:28][OH:79])[O:107]1 |
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