| Properties | Image |
|---|
| MNX_ID | MNXM27310 |
 |
| reference | lipidmapsM:LMST04030028 |
| formula | C27H48O4 |
| global charge | 0 |
| mol weight | 436.677 |
| InChIKey | GTTMGQQNXYTAKB-ARZRLSSQSA-N |
| InChI | InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)19-8-9-20-23-21(11-13-26(19,20)3)27(4)12-10-18(29)14-22(27)24(30)25(23)31/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18-,19-,20+,21+,22+,23+,24+,25+,26-,27-/m1/s1 |
| SMILES | CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H48O4/c1-16(15-28)6-5-7-17(2)19-8-9-20-23-21(11-13-26(19,20)3)27(4)12-10-18(29)14-22(27)24(30)25(23)31/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18-,19-,20+,21+,22+,23+,24+,25+,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH2:6][CH2:5][CH2:7][C@@H:17]([CH3:2])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@H:23]3[C@H:21]([CH2:11][CH2:13][C@:26]12[CH3:3])[C@@:27]1([CH3:4])[CH2:12][CH2:10][C@@H:18]([OH:29])[CH2:14][C@H:22]1[C@H:24]([OH:30])[C@H:25]3[OH:31])[CH2:15][OH:28] |
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