| Properties | Image |
MNX_ID | MNXM33422 |
 |
reference | lipidmapsM:LMFA03110026 |
formula | C20H34O5 |
global charge | 0 |
mol weight | 354.487 |
InChIKey | PXGPLTODNUVGFL-BWEMOPLBSA-N |
InChI | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m1/s1 |
SMILES | CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@H:15](/[CH:12]=[CH:13]/[C@H:17]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C@@H:18]([OH:22])[CH2:14][C@H:19]1[OH:23])[OH:21] |
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