| Properties | Image |
|---|
| MNX_ID | MNXM160129 |
 |
| reference | lipidmapsM:LMGP15010182 |
| formula | C66H119O33P |
| global charge | 0 |
| mol weight | 1471.619 |
| InChIKey | KPSKLLYDKBQIQP-YQALRZFLSA-N |
| InChI | InChI=1S/C66H119O33P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-43(69)88-34-38(92-44(70)31-29-27-25-23-20-14-12-10-8-6-4-2)35-91-100(86,87)99-62-60(97-65-58(84)50(76)46(72)40(33-68)94-65)54(80)53(79)55(81)61(62)98-66-59(85)52(78)48(74)42(96-66)37-90-64-57(83)51(77)47(73)41(95-64)36-89-63-56(82)49(75)45(71)39(32-67)93-63/h17-18,38-42,45-68,71-85H,3-16,19-37H2,1-2H3,(H,86,87)/b18-17-/t38-,39-,40-,41-,42-,45-,46-,47-,48-,49+,50+,51+,52+,53-,54-,55+,56+,57+,58+,59+,60+,61+,62-,63+,64+,65-,66-/m1/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H119O33P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-43(69)88-34-38(92-44(70)31-29-27-25-23-20-14-12-10-8-6-4-2)35-91-100(86,87)99-62-60(97-65-58(84)50(76)46(72)40(33-68)94-65)54(80)53(79)55(81)61(62)98-66-59(85)52(78)48(74)42(96-66)37-90-64-57(83)51(77)47(73)41(95-64)36-89-63-56(82)49(75)45(71)39(32-67)93-63/h17-18,38-42,45-68,71-85H,3-16,19-37H2,1-2H3,(H,86,87)/b18-17-/t38-,39-,40-,41-,42-,45-,46-,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][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:43](=[O:69])[O:88][CH2:34][C@H:38]([CH2:35][O:91][P:100]([OH:86])(=[O:87])[O:99][C@@H:62]1[C@@H:60]([O:97][C@@H:65]2[C@@H:58]([OH:84])[C@@H:50]([OH:76])[C@H:46]([OH:72])[C@@H:40]([CH2:33][OH:68])[O:94]2)[C@H:54]([OH:80])[C@@H:53]([OH:79])[C@H:55]([OH:81])[C@@H:61]1[O:98][C@@H:66]1[C@@H:59]([OH:85])[C@@H:52]([OH:78])[C@H:48]([OH:74])[C@@H:42]([CH2:37][O:90][C@@H:64]2[C@@H:57]([OH:83])[C@@H:51]([OH:77])[C@H:47]([OH:73])[C@@H:41]([CH2:36][O:89][C@@H:63]3[C@@H:56]([OH:82])[C@@H:49]([OH:75])[C@H:45]([OH:71])[C@@H:39]([CH2:32][OH:67])[O:93]3)[O:95]2)[O:96]1)[O:92][C:44]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:70] |
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