| Properties | Image |
|---|
| MNX_ID | MNXM160219 |
 |
| reference | lipidmapsM:LMGP15010272 |
| formula | C78H141O43P |
| global charge | 0 |
| mol weight | 1797.917 |
| InChIKey | SEFQLUHESVZSIX-WPOKXDDLSA-N |
| InChI | InChI=1S/C78H141O43P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-47(81)106-34-40(112-48(82)31-29-27-25-23-20-14-12-10-8-6-4-2)35-111-122(104,105)121-72-70(119-77-68(102)56(90)50(84)42(33-80)114-77)62(96)61(95)63(97)71(72)120-78-69(103)60(94)54(88)46(118-78)39-110-76-67(101)59(93)53(87)45(117-76)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)55(89)49(83)41(32-79)113-73/h40-46,49-80,83-103H,3-39H2,1-2H3,(H,104,105)/t40-,41-,42-,43-,44-,45-,46-,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-,78-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=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/C78H141O43P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-47(81)106-34-40(112-48(82)31-29-27-25-23-20-14-12-10-8-6-4-2)35-111-122(104,105)121-72-70(119-77-68(102)56(90)50(84)42(33-80)114-77)62(96)61(95)63(97)71(72)120-78-69(103)60(94)54(88)46(118-78)39-110-76-67(101)59(93)53(87)45(117-76)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)55(89)49(83)41(32-79)113-73/h40-46,49-80,83-103H,3-39H2,1-2H3,(H,104,105)/t40-,41-,42-,43-,44-,45-,46-,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-,78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:47](=[O:81])[O:106][CH2:34][C@H:40]([CH2:35][O:111][P:122]([OH:104])(=[O:105])[O:121][C@@H:72]1[C@@H:70]([O:119][C@@H:77]2[C@@H:68]([OH:102])[C@@H:56]([OH:90])[C@H:50]([OH:84])[C@@H:42]([CH2:33][OH:80])[O:114]2)[C@H:62]([OH:96])[C@@H:61]([OH:95])[C@H:63]([OH:97])[C@@H:71]1[O:120][C@@H:78]1[C@@H:69]([OH:103])[C@@H:60]([OH:94])[C@H:54]([OH:88])[C@@H:46]([CH2:39][O:110][C@@H:76]2[C@@H:67]([OH:101])[C@@H:59]([OH:93])[C@H:53]([OH:87])[C@@H:45]([CH2:38][O:109][C@@H:75]3[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]4[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]5[C@@H:64]([OH:98])[C@@H:55]([OH:89])[C@H:49]([OH:83])[C@@H:41]([CH2:32][OH:79])[O:113]5)[O:115]4)[O:116]3)[O:117]2)[O:118]1)[O:112][C:48]([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:82] |
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