| Properties | Image |
|---|
| MNX_ID | MNXM28994 |
 |
| reference | lipidmapsM:LMFA13010027 |
| formula | C34H66O9 |
| global charge | 0 |
| mol weight | 618.893 |
| InChIKey | PATADSNGNXIWLE-JWKKMKLASA-N |
| InChI | InChI=1S/C34H66O9/c1-27(36)25-29(38)22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-28(37)23-24-42-34-33(41)32(40)31(39)30(26-35)43-34/h27-28,30-37,39-41H,2-26H2,1H3/t27-,28-,30-,31-,32+,33-,34+/m1/s1 |
| SMILES | C[C@@H](O)CC(=O)CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C34H66O9/c1-27(36)25-29(38)22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-28(37)23-24-42-34-33(41)32(40)31(39)30(26-35)43-34/h27-28,30-37,39-41H,2-26H2,1H3/t27-,28-,30-,31-,32+,33-,34+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:27]([CH2:25][C:29]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C@H:28]([CH2:23][CH2:24][O:42][C@@H:34]1[C@H:33]([OH:41])[C@@H:32]([OH:40])[C@H:31]([OH:39])[C@@H:30]([CH2:26][OH:35])[O:43]1)[OH:37])=[O:38])[OH:36] |
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