| Properties | Image |
|---|
| MNX_ID | MNXM160137 |
 |
| reference | lipidmapsM:LMGP15010190 |
| formula | C68H119O33P |
| global charge | 0 |
| mol weight | 1495.641 |
| InChIKey | QAAVGIPJVCQJAW-FBHNZWKVSA-N |
| InChI | InChI=1S/C68H119O33P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-45(71)90-36-40(94-46(72)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)37-93-102(88,89)101-64-62(99-67-60(86)52(78)48(74)42(35-70)96-67)56(82)55(81)57(83)63(64)100-68-61(87)54(80)50(76)44(98-68)39-92-66-59(85)53(79)49(75)43(97-66)38-91-65-58(84)51(77)47(73)41(34-69)95-65/h13-16,18-19,40-44,47-70,73-87H,3-12,17,20-39H2,1-2H3,(H,88,89)/b15-13-,16-14-,19-18-/t40-,41-,42-,43-,44-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-/m1/s1 |
| SMILES | CCCCCC/C=C\C/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)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H119O33P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-45(71)90-36-40(94-46(72)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)37-93-102(88,89)101-64-62(99-67-60(86)52(78)48(74)42(35-70)96-67)56(82)55(81)57(83)63(64)100-68-61(87)54(80)50(76)44(98-68)39-92-66-59(85)53(79)49(75)43(97-66)38-91-65-58(84)51(77)47(73)41(34-69)95-65/h13-16,18-19,40-44,47-70,73-87H,3-12,17,20-39H2,1-2H3,(H,88,89)/b15-13-,16-14-,19-18-/t40-,41-,42-,43-,44-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:45](=[O:71])[O:90][CH2:36][C@H:40]([CH2:37][O:93][P:102]([OH:88])(=[O:89])[O:101][C@@H:64]1[C@@H:62]([O:99][C@@H:67]2[C@@H:60]([OH:86])[C@@H:52]([OH:78])[C@H:48]([OH:74])[C@@H:42]([CH2:35][OH:70])[O:96]2)[C@H:56]([OH:82])[C@@H:55]([OH:81])[C@H:57]([OH:83])[C@@H:63]1[O:100][C@@H:68]1[C@@H:61]([OH:87])[C@@H:54]([OH:80])[C@H:50]([OH:76])[C@@H:44]([CH2:39][O:92][C@@H:66]2[C@@H:59]([OH:85])[C@@H:53]([OH:79])[C@H:49]([OH:75])[C@@H:43]([CH2:38][O:91][C@@H:65]3[C@@H:58]([OH:84])[C@@H:51]([OH:77])[C@H:47]([OH:73])[C@@H:41]([CH2:34][OH:69])[O:95]3)[O:97]2)[O:98]1)[O:94][C:46]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:72] |
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