| Properties | Image |
|---|
| MNX_ID | MNXM523699 |
 |
| reference | slm:000487578 |
| formula | C64H114N3O26 |
| global charge | -1 |
| mol weight | 1341.611 |
| InChIKey | MIDIJQSUPRHMDH-KYEQXLMZSA-M |
| InChI | InChI=1S/C64H115N3O26/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-29-41(74)40(67-47(77)30-27-24-21-18-15-16-19-22-25-28-37(2)3)36-86-61-54(82)53(81)56(45(34-70)88-61)90-62-55(83)59(57(46(35-71)89-62)91-60-49(66-39(5)73)52(80)51(79)44(33-69)87-60)93-64(63(84)85)31-42(75)48(65-38(4)72)58(92-64)50(78)43(76)32-68/h26,29,37,40-46,48-62,68-71,74-76,78-83H,6-25,27-28,30-36H2,1-5H3,(H,65,72)(H,66,73)(H,67,77)(H,84,85)/p-1/b29-26+/t40-,41+,42-,43+,44+,45+,46+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-,61+,62-,64-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C64H115N3O26/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-29-41(74)40(67-47(77)30-27-24-21-18-15-16-19-22-25-28-37(2)3)36-86-61-54(82)53(81)56(45(34-70)88-61)90-62-55(83)59(57(46(35-71)89-62)91-60-49(66-39(5)73)52(80)51(79)44(33-69)87-60)93-64(63(84)85)31-42(75)48(65-38(4)72)58(92-64)50(78)43(76)32-68/h26,29,37,40-46,48-62,68-71,74-76,78-83H,6-25,27-28,30-36H2,1-5H3,(H,65,72)(H,66,73)(H,67,77)(H,84,85)/b29-26+/t40-,41+,42-,43+,44+,45+,46+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-,61+,62-,64-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23]/[CH:26]=[CH:29]/[C@H:41]([C@H:40]([CH2:36][O:86][C@H:61]1[C@H:54]([OH:82])[C@@H:53]([OH:81])[C@H:56]([O:90][C@H:62]2[C@H:55]([OH:83])[C@@H:59]([O:93][C@:64]3([C:63](=[O:84])[OH:85])[CH2:31][C@H:42]([OH:75])[C@@H:48]([N:65]=[C:38]([CH3:4])[OH:72])[C@H:58]([C@@H:50]([C@@H:43]([CH2:32][OH:68])[OH:76])[OH:78])[O:92]3)[C@@H:57]([O:91][C@H:60]3[C@H:49]([N:66]=[C:39]([CH3:5])[OH:73])[C@@H:52]([OH:80])[C@@H:51]([OH:79])[C@@H:44]([CH2:33][OH:69])[O:87]3)[C@@H:46]([CH2:35][OH:71])[O:89]2)[C@@H:45]([CH2:34][OH:70])[O:88]1)[N:67]=[C:47]([CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH:37]([CH3:2])[CH3:3])[OH:77])[OH:74] |
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