| Properties | Image |
|---|
| MNX_ID | MNXM28589 |
 |
| reference | lipidmapsM:LMST04010249 |
| formula | C24H40O5 |
| global charge | 0 |
| mol weight | 408.579 |
| InChIKey | IPSHXEXQGICLQN-UPFZGEOISA-N |
| InChI | InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19?,20-,22-,23-,24+/m0/s1 |
| SMILES | C[C@H](C(O)CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19?,20-,22-,23-,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:13]([C@H:16]1[CH2:4][CH2:5][C@H:17]2[C@H:22]3[C@H:18]([CH2:7][CH2:9][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:8][CH2:6][C@@H:15]([OH:25])[CH2:10][C@H:14]1[CH2:11][C@@H:20]3[OH:27])[CH:19]([CH2:12][C:21](=[O:28])[OH:29])[OH:26] |
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