| Properties | Image |
|---|
| MNX_ID | MNXM160201 |
 |
| reference | lipidmapsM:LMGP15010254 |
| formula | C77H139O43P |
| global charge | 0 |
| mol weight | 1783.89 |
| InChIKey | XFUBEBBIVBKHDE-QGFDFQRNSA-N |
| InChI | InChI=1S/C77H139O43P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-46(80)105-33-39(111-47(81)30-28-26-24-22-19-14-12-10-8-6-4-2)34-110-121(103,104)120-71-69(118-76-67(101)55(89)49(83)41(32-79)113-76)61(95)60(94)62(96)70(71)119-77-68(102)59(93)53(87)45(117-77)38-109-75-66(100)58(92)52(86)44(116-75)37-108-74-65(99)57(91)51(85)43(115-74)36-107-73-64(98)56(90)50(84)42(114-73)35-106-72-63(97)54(88)48(82)40(31-78)112-72/h39-45,48-79,82-102H,3-38H2,1-2H3,(H,103,104)/t39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76-,77-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=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]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)[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/C77H139O43P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-46(80)105-33-39(111-47(81)30-28-26-24-22-19-14-12-10-8-6-4-2)34-110-121(103,104)120-71-69(118-76-67(101)55(89)49(83)41(32-79)113-76)61(95)60(94)62(96)70(71)119-77-68(102)59(93)53(87)45(117-77)38-109-75-66(100)58(92)52(86)44(116-75)37-108-74-65(99)57(91)51(85)43(115-74)36-107-73-64(98)56(90)50(84)42(114-73)35-106-72-63(97)54(88)48(82)40(31-78)112-72/h39-45,48-79,82-102H,3-38H2,1-2H3,(H,103,104)/t39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76-,77-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:46](=[O:80])[O:105][CH2:33][C@H:39]([CH2:34][O:110][P:121]([OH:103])(=[O:104])[O:120][C@@H:71]1[C@@H:69]([O:118][C@@H:76]2[C@@H:67]([OH:101])[C@@H:55]([OH:89])[C@H:49]([OH:83])[C@@H:41]([CH2:32][OH:79])[O:113]2)[C@H:61]([OH:95])[C@@H:60]([OH:94])[C@H:62]([OH:96])[C@@H:70]1[O:119][C@@H:77]1[C@@H:68]([OH:102])[C@@H:59]([OH:93])[C@H:53]([OH:87])[C@@H:45]([CH2:38][O:109][C@@H:75]2[C@@H:66]([OH:100])[C@@H:58]([OH:92])[C@H:52]([OH:86])[C@@H:44]([CH2:37][O:108][C@@H:74]3[C@@H:65]([OH:99])[C@@H:57]([OH:91])[C@H:51]([OH:85])[C@@H:43]([CH2:36][O:107][C@@H:73]4[C@@H:64]([OH:98])[C@@H:56]([OH:90])[C@H:50]([OH:84])[C@@H:42]([CH2:35][O:106][C@@H:72]5[C@@H:63]([OH:97])[C@@H:54]([OH:88])[C@H:48]([OH:82])[C@@H:40]([CH2:31][OH:78])[O:112]5)[O:114]4)[O:115]3)[O:116]2)[O:117]1)[O:111][C:47]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:81] |
|