| Properties | Image |
|---|
| MNX_ID | MNXM160175 |
 |
| reference | lipidmapsM:LMGP15010228 |
| formula | C76H139O38P |
| global charge | 0 |
| mol weight | 1691.884 |
| InChIKey | DNIWLUFNGOVAST-XYDKCXRQSA-N |
| InChI | InChI=1S/C76H139O38P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-49(79)101-38-43(106-50(80)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)39-105-115(99,100)114-71-69(112-75-67(97)57(87)52(82)45(37-78)108-75)62(92)61(91)63(93)70(71)113-76-68(98)60(90)55(85)48(111-76)42-104-74-66(96)59(89)54(84)47(110-74)41-103-73-65(95)58(88)53(83)46(109-73)40-102-72-64(94)56(86)51(81)44(36-77)107-72/h43-48,51-78,81-98H,3-42H2,1-2H3,(H,99,100)/t43-,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-/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](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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H139O38P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-49(79)101-38-43(106-50(80)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)39-105-115(99,100)114-71-69(112-75-67(97)57(87)52(82)45(37-78)108-75)62(92)61(91)63(93)70(71)113-76-68(98)60(90)55(85)48(111-76)42-104-74-66(96)59(89)54(84)47(110-74)41-103-73-65(95)58(88)53(83)46(109-73)40-102-72-64(94)56(86)51(81)44(36-77)107-72/h43-48,51-78,81-98H,3-42H2,1-2H3,(H,99,100)/t43-,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-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:49](=[O:79])[O:101][CH2:38][C@H:43]([CH2:39][O:105][P:115]([OH:99])(=[O:100])[O:114][C@@H:71]1[C@@H:69]([O:112][C@@H:75]2[C@@H:67]([OH:97])[C@@H:57]([OH:87])[C@H:52]([OH:82])[C@@H:45]([CH2:37][OH:78])[O:108]2)[C@H:62]([OH:92])[C@@H:61]([OH:91])[C@H:63]([OH:93])[C@@H:70]1[O:113][C@@H:76]1[C@@H:68]([OH:98])[C@@H:60]([OH:90])[C@H:55]([OH:85])[C@@H:48]([CH2:42][O:104][C@@H:74]2[C@@H:66]([OH:96])[C@@H:59]([OH:89])[C@H:54]([OH:84])[C@@H:47]([CH2:41][O:103][C@@H:73]3[C@@H:65]([OH:95])[C@@H:58]([OH:88])[C@H:53]([OH:83])[C@@H:46]([CH2:40][O:102][C@@H:72]4[C@@H:64]([OH:94])[C@@H:56]([OH:86])[C@H:51]([OH:81])[C@@H:44]([CH2:36][OH:77])[O:107]4)[O:109]3)[O:110]2)[O:111]1)[O:106][C:50]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:80] |
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