| Properties | Image |
|---|
| MNX_ID | MNXM28357 |
 |
| reference | lipidmapsM:LMST04010074 |
| formula | C24H40O5 |
| global charge | 0 |
| mol weight | 408.579 |
| InChIKey | DKPMWHFRUGMUKF-FEQOZVJYSA-N |
| InChI | InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18-,20+,21+,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@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18-,20+,21+,22+,23-,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:13]([CH2:4][CH2:7][C:19](=[O:26])[OH:27])[C@H:15]1[CH2:5][CH2:6][C@H:16]2[C@H:20]3[C@H:17]([CH2:9][CH2:11][C@:23]12[CH3:2])[C@@:24]1([CH3:3])[CH2:10][CH2:8][C@@H:14]([OH:25])[CH2:12][C@@H:18]1[C@H:21]([OH:28])[C@H:22]3[OH:29] |
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