| Properties | Image |
|---|
| MNX_ID | MNXM26050 |
 |
| reference | lipidmapsM:LMST04030091 |
| formula | C27H48O5 |
| global charge | 0 |
| mol weight | 452.676 |
| InChIKey | DNMOMLRFWQIHJP-ANCCEJGHSA-N |
| InChI | InChI=1S/C27H48O5/c1-15(14-28)5-8-22(30)16(2)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15?,16-,17-,18+,19+,20-,21-,22?,23+,24-,25-,26-,27+/m0/s1 |
| SMILES | CC(CO)CCC(O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H48O5/c1-15(14-28)5-8-22(30)16(2)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15?,16-,17-,18+,19+,20-,21-,22?,23+,24-,25-,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH2:5][CH2:8][CH:22]([C@@H:16]([CH3:2])[C@H:19]1[CH2:6][CH2:7][C@H:20]2[C@H:25]3[C@H:21]([CH2:13][C@H:24]([OH:32])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:10][CH2:9][C@@H:18]([OH:29])[CH2:11][C@H:17]1[CH2:12][C@H:23]3[OH:31])[OH:30])[CH2:14][OH:28] |
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