| Properties | Image |
|---|
| MNX_ID | MNXM23120 |
 |
| reference | lipidmapsM:LMSP0504AD01 |
| formula | C66H120N2O27 |
| global charge | 0 |
| mol weight | 1373.673 |
| InChIKey | OWGHGIFGGDERDI-BUKTZGRKSA-N |
| InChI | InChI=1S/C66H120N2O27/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(74)40(68-46(75)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-86-63-56(84)54(82)58(45(36-72)91-63)92-65-57(85)60(51(79)44(35-71)89-65)94-62-47(67-39(4)73)59(50(78)43(34-70)88-62)93-66-61(53(81)49(77)42(33-69)90-66)95-64-55(83)52(80)48(76)38(3)87-64/h29,31,38,40-45,47-66,69-72,74,76-85H,5-28,30,32-37H2,1-4H3,(H,67,73)(H,68,75)/b31-29+/t38-,40+,41-,42-,43-,44-,45-,47-,48-,49+,50-,51+,52-,53+,54-,55+,56-,57-,58-,59-,60+,61-,62+,63-,64-,65+,66+/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](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]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H120N2O27/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(74)40(68-46(75)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-86-63-56(84)54(82)58(45(36-72)91-63)92-65-57(85)60(51(79)44(35-71)89-65)94-62-47(67-39(4)73)59(50(78)43(34-70)88-62)93-66-61(53(81)49(77)42(33-69)90-66)95-64-55(83)52(80)48(76)38(3)87-64/h29,31,38,40-45,47-66,69-72,74,76-85H,5-28,30,32-37H2,1-4H3,(H,67,73)(H,68,75)/b31-29+/t38-,40+,41-,42-,43-,44-,45-,47-,48-,49+,50-,51+,52-,53+,54-,55+,56-,57-,58-,59-,60+,61-,62+,63-,64-,65+,66+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:41]([C@H:40]([CH2:37][O:86][C@H:63]1[C@H:56]([OH:84])[C@@H:54]([OH:82])[C@H:58]([O:92][C@H:65]2[C@H:57]([OH:85])[C@@H:60]([O:94][C@H:62]3[C@H:47]([N:67]=[C:39]([CH3:4])[OH:73])[C@@H:59]([O:93][C@H:66]4[C@H:61]([O:95][C@@H:64]5[C@@H:55]([OH:83])[C@H:52]([OH:80])[C@H:48]([OH:76])[C@@H:38]([CH3:3])[O:87]5)[C@@H:53]([OH:81])[C@@H:49]([OH:77])[C@@H:42]([CH2:33][OH:69])[O:90]4)[C@H:50]([OH:78])[C@@H:43]([CH2:34][OH:70])[O:88]3)[C@@H:51]([OH:79])[C@@H:44]([CH2:35][OH:71])[O:89]2)[C@@H:45]([CH2:36][OH:72])[O:91]1)[N:68]=[C:46]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:75])[OH:74] |
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