| Properties | Image |
|---|
| MNX_ID | MNXM160062 |
 |
| reference | lipidmapsM:LMGP15010115 |
| formula | C63H115O28P |
| global charge | 0 |
| mol weight | 1351.559 |
| InChIKey | YBFYPTPAFQXNHN-QNGDCRCCSA-N |
| InChI | InChI=1S/C63H115O28P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(66)82-37-40(85-45(67)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-84-92(80,81)91-60-58(89-62-56(78)50(72)47(69)42(36-65)87-62)53(75)52(74)54(76)59(60)90-63-57(79)51(73)48(70)43(88-63)39-83-61-55(77)49(71)46(68)41(35-64)86-61/h18,20,40-43,46-65,68-79H,3-17,19,21-39H2,1-2H3,(H,80,81)/b20-18-/t40-,41-,42-,43-,46-,47-,48-,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61+,62-,63-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)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](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C63H115O28P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(66)82-37-40(85-45(67)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-84-92(80,81)91-60-58(89-62-56(78)50(72)47(69)42(36-65)87-62)53(75)52(74)54(76)59(60)90-63-57(79)51(73)48(70)43(88-63)39-83-61-55(77)49(71)46(68)41(35-64)86-61/h18,20,40-43,46-65,68-79H,3-17,19,21-39H2,1-2H3,(H,80,81)/b20-18-/t40-,41-,42-,43-,46-,47-,48-,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61+,62-,63-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:44](=[O:66])[O:82][CH2:37][C@H:40]([CH2:38][O:84][P:92]([OH:80])(=[O:81])[O:91][C@@H:60]1[C@@H:58]([O:89][C@@H:62]2[C@@H:56]([OH:78])[C@@H:50]([OH:72])[C@H:47]([OH:69])[C@@H:42]([CH2:36][OH:65])[O:87]2)[C@H:53]([OH:75])[C@@H:52]([OH:74])[C@H:54]([OH:76])[C@@H:59]1[O:90][C@@H:63]1[C@@H:57]([OH:79])[C@@H:51]([OH:73])[C@H:48]([OH:70])[C@@H:43]([CH2:39][O:83][C@@H:61]2[C@@H:55]([OH:77])[C@@H:49]([OH:71])[C@H:46]([OH:68])[C@@H:41]([CH2:35][OH:64])[O:86]2)[O:88]1)[O:85][C:45]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:67] |
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