| Properties | Image |
|---|
| MNX_ID | MNXM52125 |
 |
| reference | lipidmapsM:LMFA03110083 |
| formula | C20H32O5 |
| global charge | 0 |
| mol weight | 352.471 |
| InChIKey | VRHOOVVYFPUEHK-KFVDZBPCSA-N |
| InChI | InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-/m1/s1 |
| SMILES | CCCCC/C=C\C[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1CCCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:9][C@H:15](/[CH:12]=[CH:13]/[C@H:17]1[C@@H:16]([CH2:10][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C@H:18]([OH:22])[CH2:14][C:19]1=[O:23])[OH:21] |
|