| Properties | Image |
|---|
| MNX_ID | MNXM160200 |
 |
| reference | lipidmapsM:LMGP15010253 |
| formula | C80H143O43P |
| global charge | 0 |
| mol weight | 1823.955 |
| InChIKey | QXHJWKALKSNGDX-GKGBQKNQSA-N |
| InChI | InChI=1S/C80H143O43P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(84)114-42(36-108-49(83)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-113-124(106,107)123-74-72(121-79-70(104)58(92)52(86)44(35-82)116-79)64(98)63(97)65(99)73(74)122-80-71(105)62(96)56(90)48(120-80)41-112-78-69(103)61(95)55(89)47(119-78)40-111-77-68(102)60(94)54(88)46(118-77)39-110-76-67(101)59(93)53(87)45(117-76)38-109-75-66(100)57(91)51(85)43(34-81)115-75/h17,19,42-48,51-82,85-105H,3-16,18,20-41H2,1-2H3,(H,106,107)/b19-17-/t42-,43-,44-,45-,46-,47-,48-,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+,79-,80-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C80H143O43P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(84)114-42(36-108-49(83)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-113-124(106,107)123-74-72(121-79-70(104)58(92)52(86)44(35-82)116-79)64(98)63(97)65(99)73(74)122-80-71(105)62(96)56(90)48(120-80)41-112-78-69(103)61(95)55(89)47(119-78)40-111-77-68(102)60(94)54(88)46(118-77)39-110-76-67(101)59(93)53(87)45(117-76)38-109-75-66(100)57(91)51(85)43(34-81)115-75/h17,19,42-48,51-82,85-105H,3-16,18,20-41H2,1-2H3,(H,106,107)/b19-17-/t42-,43-,44-,45-,46-,47-,48-,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+,79-,80-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:50](=[O:84])[O:114][C@H:42]([CH2:36][O:108][C:49]([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][CH2:4][CH3:2])=[O:83])[CH2:37][O:113][P:124]([OH:106])(=[O:107])[O:123][C@@H:74]1[C@@H:72]([O:121][C@@H:79]2[C@@H:70]([OH:104])[C@@H:58]([OH:92])[C@H:52]([OH:86])[C@@H:44]([CH2:35][OH:82])[O:116]2)[C@H:64]([OH:98])[C@@H:63]([OH:97])[C@H:65]([OH:99])[C@@H:73]1[O:122][C@@H:80]1[C@@H:71]([OH:105])[C@@H:62]([OH:96])[C@H:56]([OH:90])[C@@H:48]([CH2:41][O:112][C@@H:78]2[C@@H:69]([OH:103])[C@@H:61]([OH:95])[C@H:55]([OH:89])[C@@H:47]([CH2:40][O:111][C@@H:77]3[C@@H:68]([OH:102])[C@@H:60]([OH:94])[C@H:54]([OH:88])[C@@H:46]([CH2:39][O:110][C@@H:76]4[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]5[C@@H:66]([OH:100])[C@@H:57]([OH:91])[C@H:51]([OH:85])[C@@H:43]([CH2:34][OH:81])[O:115]5)[O:117]4)[O:118]3)[O:119]2)[O:120]1 |
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