| Properties | Image |
|---|
| MNX_ID | MNXM29866 |
 |
| reference | lipidmapsM:LMSP0506AP02 |
| formula | C62H114N2O23 |
| global charge | 0 |
| mol weight | 1255.585 |
| InChIKey | KIYMXPDGGIVDNA-MVIPBSHGSA-N |
| InChI | InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(70)64-40(41(69)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-80-60-55(78)53(76)57(44(36-67)84-60)86-62-56(79)58(87-61-54(77)52(75)49(72)43(35-66)83-61)50(73)45(85-62)38-81-59-47(63-39(3)68)51(74)48(71)42(34-65)82-59/h30,32,40-45,47-62,65-67,69,71-79H,4-29,31,33-38H2,1-3H3,(H,63,68)(H,64,70)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48+,49-,50-,51+,52-,53+,54+,55+,56+,57+,58-,59+,60+,61+,62-/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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(70)64-40(41(69)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-80-60-55(78)53(76)57(44(36-67)84-60)86-62-56(79)58(87-61-54(77)52(75)49(72)43(35-66)83-61)50(73)45(85-62)38-81-59-47(63-39(3)68)51(74)48(71)42(34-65)82-59/h30,32,40-45,47-62,65-67,69,71-79H,4-29,31,33-38H2,1-3H3,(H,63,68)(H,64,70)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48+,49-,50-,51+,52-,53+,54+,55+,56+,57+,58-,59+,60+,61+,62-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:46](=[N:64][C@@H:40]([CH2:37][O:80][C@H:60]1[C@H:55]([OH:78])[C@@H:53]([OH:76])[C@H:57]([O:86][C@H:62]2[C@H:56]([OH:79])[C@@H:58]([O:87][C@@H:61]3[C@H:54]([OH:77])[C@@H:52]([OH:75])[C@@H:49]([OH:72])[C@@H:43]([CH2:35][OH:66])[O:83]3)[C@@H:50]([OH:73])[C@@H:45]([CH2:38][O:81][C@H:59]3[C@H:47]([N:63]=[C:39]([CH3:3])[OH:68])[C@@H:51]([OH:74])[C@H:48]([OH:71])[C@@H:42]([CH2:34][OH:65])[O:82]3)[O:85]2)[C@@H:44]([CH2:36][OH:67])[O:84]1)[C@@H:41](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:69])[OH:70] |
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