| Properties | Image |
|---|
| MNX_ID | MNXM1111 |
 |
| reference | chebi:53023 |
| formula | C77H132N2O47P2 |
| global charge | 0 |
| mol weight | 1899.818 |
| InChIKey | HRFNILJLLHZHCH-DIYMVKKISA-N |
| InChI | InChI=1S/C77H132N2O47P2/c1-31(2)13-9-14-32(3)15-10-16-33(4)17-11-18-34(5)19-12-20-35(6)21-22-110-127(105,106)126-128(107,108)125-71-47(79-37(8)88)55(96)64(44(29-86)117-71)119-70-46(78-36(7)87)54(95)65(43(28-85)116-70)120-75-63(104)67(53(94)45(118-75)30-109-72-62(103)66(52(93)42(27-84)111-72)121-73-60(101)56(97)48(89)38(23-80)112-73)122-76-69(59(100)51(92)40(25-82)114-76)124-77-68(58(99)50(91)41(26-83)115-77)123-74-61(102)57(98)49(90)39(24-81)113-74/h13,15,17,19,35,38-77,80-86,89-104H,9-12,14,16,18,20-30H2,1-8H3,(H,78,87)(H,79,88)(H,105,106)(H,107,108)/b32-15+,33-17+,34-19+/t35?,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-,72+,73-,74-,75+,76-,77-/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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[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/C77H132N2O47P2/c1-31(2)13-9-14-32(3)15-10-16-33(4)17-11-18-34(5)19-12-20-35(6)21-22-110-127(105,106)126-128(107,108)125-71-47(79-37(8)88)55(96)64(44(29-86)117-71)119-70-46(78-36(7)87)54(95)65(43(28-85)116-70)120-75-63(104)67(53(94)45(118-75)30-109-72-62(103)66(52(93)42(27-84)111-72)121-73-60(101)56(97)48(89)38(23-80)112-73)122-76-69(59(100)51(92)40(25-82)114-76)124-77-68(58(99)50(91)41(26-83)115-77)123-74-61(102)57(98)49(90)39(24-81)113-74/h13,15,17,19,35,38-77,80-86,89-104H,9-12,14,16,18,20-30H2,1-8H3,(H,78,87)(H,79,88)(H,105,106)(H,107,108)/b32-15+,33-17+,34-19+/t35?,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-,72+,73-,74-,75+,76-,77-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:32]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:33]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:34]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:35]([CH3:6])[CH2:21][CH2:22][O:110][P:127]([OH:105])(=[O:106])[O:126][P:128]([OH:107])(=[O:108])[O:125][C@@H:71]1[C@H:47]([N:79]=[C:37]([CH3:8])[OH:88])[C@@H:55]([OH:96])[C@H:64]([O:119][C@H:70]2[C@H:46]([N:78]=[C:36]([CH3:7])[OH:87])[C@@H:54]([OH:95])[C@H:65]([O:120][C@H:75]3[C@@H:63]([OH:104])[C@@H:67]([O:122][C@@H:76]4[C@@H:69]([O:124][C@@H:77]5[C@@H:68]([O:123][C@@H:74]6[C@@H:61]([OH:102])[C@@H:57]([OH:98])[C@H:49]([OH:90])[C@@H:39]([CH2:24][OH:81])[O:113]6)[C@@H:58]([OH:99])[C@H:50]([OH:91])[C@@H:41]([CH2:26][OH:83])[O:115]5)[C@@H:59]([OH:100])[C@H:51]([OH:92])[C@@H:40]([CH2:25][OH:82])[O:114]4)[C@H:53]([OH:94])[C@@H:45]([CH2:30][O:109][C@@H:72]4[C@@H:62]([OH:103])[C@@H:66]([O:121][C@@H:73]5[C@@H:60]([OH:101])[C@@H:56]([OH:97])[C@H:48]([OH:89])[C@@H:38]([CH2:23][OH:80])[O:112]5)[C@H:52]([OH:93])[C@@H:42]([CH2:27][OH:84])[O:111]4)[O:118]3)[C@@H:43]([CH2:28][OH:85])[O:116]2)[C@@H:44]([CH2:29][OH:86])[O:117]1 |
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