| Properties | Image |
MNX_ID | MNXM27194 |
 |
reference | lipidmapsM:LMFA13010020 |
formula | C32H62O8 |
global charge | 0 |
mol weight | 574.84 |
InChIKey | ZAOCREGSHHBKIE-JJPWUKMOSA-N |
InChI | InChI=1S/C32H62O8/c1-26(34)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-27(35)23-24-39-32-31(38)30(37)29(36)28(25-33)40-32/h26,28-34,36-38H,2-25H2,1H3/t26-,28-,29-,30+,31-,32+/m1/s1 |
SMILES | C[C@@H](O)CCCCCCCCCCCCCCCCCCCCCC(=O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C32H62O8/c1-26(34)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-27(35)23-24-39-32-31(38)30(37)29(36)28(25-33)40-32/h26,28-34,36-38H,2-25H2,1H3/t26-,28-,29-,30+,31-,32+/m1/s1 |
 |
SMILES (mnx) | [CH3:1][C@H:26]([CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][C:27]([CH2:23][CH2:24][O:39][C@@H:32]1[C@H:31]([OH:38])[C@@H:30]([OH:37])[C@H:29]([OH:36])[C@@H:28]([CH2:25][OH:33])[O:40]1)=[O:35])[OH:34] |
|