| Properties | Image |
|---|
| MNX_ID | MNXM157499 |
 |
| reference | lipidmapsM:LMGP15040009 |
| formula | C37H69O22P |
| global charge | 0 |
| mol weight | 896.911 |
| InChIKey | MOEKLGVOVLDLKN-ODWBJJNISA-N |
| InChI | InChI=1S/C37H69O22P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(41)53-18-20(40)19-54-60(51,52)59-35-33(57-36-31(49)26(44)24(42)21(16-38)55-36)29(47)28(46)30(48)34(35)58-37-32(50)27(45)25(43)22(17-39)56-37/h20-22,24-40,42-50H,2-19H2,1H3,(H,51,52)/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)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](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H69O22P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(41)53-18-20(40)19-54-60(51,52)59-35-33(57-36-31(49)26(44)24(42)21(16-38)55-36)29(47)28(46)30(48)34(35)58-37-32(50)27(45)25(43)22(17-39)56-37/h20-22,24-40,42-50H,2-19H2,1H3,(H,51,52)/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:23](=[O:41])[O:53][CH2:18][C@H:20]([CH2:19][O:54][P:60]([OH:51])(=[O:52])[O:59][C@@H:35]1[C@@H:33]([O:57][C@@H:36]2[C@@H:31]([OH:49])[C@@H:26]([OH:44])[C@H:24]([OH:42])[C@@H:21]([CH2:16][OH:38])[O:55]2)[C@H:29]([OH:47])[C@@H:28]([OH:46])[C@H:30]([OH:48])[C@@H:34]1[O:58][C@@H:37]1[C@@H:32]([OH:50])[C@@H:27]([OH:45])[C@H:25]([OH:43])[C@@H:22]([CH2:17][OH:39])[O:56]1)[OH:40] |
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