| Properties | Image |
|---|
| MNX_ID | MNXM24407 |
 |
| reference | lipidmapsM:LMSP0502AU04 |
| formula | C70H129NO27 |
| global charge | 0 |
| mol weight | 1416.782 |
| InChIKey | JQVWZYYEUDJHEM-VPOMPINRSA-N |
| InChI | InChI=1S/C70H129NO27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(77)71-44(45(76)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-89-66-59(86)56(83)62(48(40-74)93-66)95-68-60(87)57(84)63(49(41-75)94-68)96-69-61(88)64(53(80)47(39-73)91-69)97-70-65(55(82)52(79)46(38-72)92-70)98-67-58(85)54(81)51(78)43(3)90-67/h34,36,43-49,51-70,72-76,78-88H,4-33,35,37-42H2,1-3H3,(H,71,77)/b36-34+/t43-,44+,45-,46-,47-,48-,49-,51-,52+,53+,54-,55+,56-,57-,58+,59-,60-,61-,62-,63+,64+,65-,66-,67-,68+,69-,70-/m1/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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H129NO27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(77)71-44(45(76)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-89-66-59(86)56(83)62(48(40-74)93-66)95-68-60(87)57(84)63(49(41-75)94-68)96-69-61(88)64(53(80)47(39-73)91-69)97-70-65(55(82)52(79)46(38-72)92-70)98-67-58(85)54(81)51(78)43(3)90-67/h34,36,43-49,51-70,72-76,78-88H,4-33,35,37-42H2,1-3H3,(H,71,77)/b36-34+/t43-,44+,45-,46-,47-,48-,49-,51-,52+,53+,54-,55+,56-,57-,58+,59-,60-,61-,62-,63+,64+,65-,66-,67-,68+,69-,70-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:50](=[N:71][C@@H:44]([CH2:42][O:89][C@H:66]1[C@H:59]([OH:86])[C@@H:56]([OH:83])[C@H:62]([O:95][C@H:68]2[C@H:60]([OH:87])[C@@H:57]([OH:84])[C@@H:63]([O:96][C@@H:69]3[C@H:61]([OH:88])[C@@H:64]([O:97][C@@H:70]4[C@H:65]([O:98][C@@H:67]5[C@@H:58]([OH:85])[C@H:54]([OH:81])[C@H:51]([OH:78])[C@@H:43]([CH3:3])[O:90]5)[C@@H:55]([OH:82])[C@@H:52]([OH:79])[C@@H:46]([CH2:38][OH:72])[O:92]4)[C@@H:53]([OH:80])[C@@H:47]([CH2:39][OH:73])[O:91]3)[C@@H:49]([CH2:41][OH:75])[O:94]2)[C@@H:48]([CH2:40][OH:74])[O:93]1)[C@@H:45](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:76])[OH:77] |
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