| Properties | Image |
|---|
| MNX_ID | MNXM27646 |
 |
| reference | lipidmapsM:LMST04010056 |
| formula | C24H40O4 |
| global charge | 0 |
| mol weight | 392.58 |
| InChIKey | ZHCAAZIHTDCFJX-JLXCKZAHSA-N |
| InChI | InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18+,19+,20-,22+,23+,24-/m1/s1 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4CCCC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18+,19+,20-,22+,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]([CH2:7][CH2:10][C:21](=[O:27])[OH:28])[C@H:16]1[CH2:8][CH2:9][C@H:17]2[C@H:22]3[C@H:18]([CH2:13][C@@H:20]([OH:26])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:11][CH2:5][CH2:4][CH2:6][C@@H:15]1[CH2:12][C@@H:19]3[OH:25] |
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