| Properties | Image |
|---|
| MNX_ID | MNXM25443 |
 |
| reference | lipidmapsM:LMST04030059 |
| formula | C27H44O4 |
| global charge | 0 |
| mol weight | 432.645 |
| InChIKey | VEEPNZJORQZZNC-QFCSXWOPSA-N |
| InChI | InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
| SMILES | C/C(=C\CC[C@@H](C)[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)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:6][CH2:5]/[CH:7]=[C:17](\[CH3:2])[C:25](=[O:30])[OH:31])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:24]3[C@H:22]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@@H:19]([OH:28])[CH2:14][C@H:18]1[CH2:15][C@H:23]3[OH:29] |
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