| Properties | Image |
|---|
| MNX_ID | MNXM30787 |
 |
| reference | lipidmapsM:LMST04030182 |
| formula | C27H46O5 |
| global charge | 0 |
| mol weight | 450.66 |
| InChIKey | CNWPIIOQKZNXBB-DYGXNTOZSA-N |
| InChI | InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| SMILES | C[C@H](CCC[C@H](C)C(=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]3C[C@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]([CH2:6][CH2:5][CH2:7][C@H:16]([CH3:2])[C:25](=[O:31])[OH:32])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@H:24]3[C@H:21]([CH2:14][C@H:23]([OH:30])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:11][CH2:10][C@@H:18]([OH:28])[CH2:12][C@@H:17]1[CH2:13][C@H:22]3[OH:29] |
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