| Properties | Image |
|---|
| MNX_ID | MNXM1130972 |
 |
| reference | lipidmapsM:LMPK03000035 |
| formula | C37H66O8 |
| global charge | 0 |
| mol weight | 638.927 |
| InChIKey | MGIQKOFFBJBJLR-HDHYLNFSSA-N |
| InChI | InChI=1S/C37H66O8/c1-3-4-12-17-33(40)35-22-23-36(45-35)34(41)21-18-30(39)26-32-20-19-31(44-32)16-14-11-9-7-5-6-8-10-13-15-29(38)25-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3/t27-,29?,30-,31+,32-,33+,34-,35-,36-/m0/s1 |
| SMILES | CCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H](O)CC[C@H](O)C[C@@H]2CC[C@@H](CCCCCCCCCCCC(O)CC3=C[C@H](C)OC3=O)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C37H66O8/c1-3-4-12-17-33(40)35-22-23-36(45-35)34(41)21-18-30(39)26-32-20-19-31(44-32)16-14-11-9-7-5-6-8-10-13-15-29(38)25-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3/t27-,29?,30-,31+,32-,33+,34-,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:12][CH2:17][C@H:33]([C@@H:35]1[CH2:22][CH2:23][C@@H:36]([C@H:34]([CH2:21][CH2:18][C@@H:30]([CH2:26][C@@H:32]2[CH2:20][CH2:19][C@@H:31]([CH2:16][CH2:14][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:13][CH2:15][CH:29]([CH2:25][C:28]3=[CH:24][C@H:27]([CH3:2])[O:43][C:37]3=[O:42])[OH:38])[O:44]2)[OH:39])[OH:41])[O:45]1)[OH:40] |
|