| Properties | Image |
|---|
| MNX_ID | MNXM1130464 |
 |
| reference | lipidmapsM:LMFA02010019 |
| formula | C24H39NO4 |
| global charge | 0 |
| mol weight | 405.579 |
| InChIKey | PTOYKLKRHSDZSH-KWYIECQPSA-N |
| InChI | InChI=1S/C24H39NO4/c1-4-6-10-14-20-19(16-17-21(20)26)13-11-8-7-9-12-15-22(27)25-23(24(28)29)18(3)5-2/h6,10,16-20,23H,4-5,7-9,11-15H2,1-3H3,(H,25,27)(H,28,29)/b10-6-/t18-,19-,20-,23-/m0/s1 |
| SMILES | CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C24H39NO4/c1-4-6-10-14-20-19(16-17-21(20)26)13-11-8-7-9-12-15-22(27)25-23(24(28)29)18(3)5-2/h6,10,16-20,23H,4-5,7-9,11-15H2,1-3H3,(H,25,27)(H,28,29)/b10-6-/t18-,19-,20-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:10]\[CH2:14][C@H:20]1[C@@H:19]([CH2:13][CH2:11][CH2:8][CH2:7][CH2:9][CH2:12][CH2:15][C:22](=[N:25][C@@H:23]([C@@H:18]([CH3:3])[CH2:5][CH3:2])[C:24](=[O:28])[OH:29])[OH:27])[CH:16]=[CH:17][C:21]1=[O:26] |
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