| Properties | Image |
|---|
| MNX_ID | MNXM1131027 |
 |
| reference | lipidmapsM:LMPK03000093 |
| formula | C35H66O8 |
| global charge | 0 |
| mol weight | 614.905 |
| InChIKey | AFONYQOWZJWHHG-MOZMCZEASA-N |
| InChI | InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33(40)23-24-34(41)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3/t27-,29?,30+,31?,32?,33?,34?/m0/s1 |
| SMILES | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCCC(O)CCCC[C@@H](O)CC1=C[C@H](C)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H66O8/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33(40)23-24-34(41)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3/t27-,29?,30+,31?,32?,33?,34?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:14][CH2:21][CH:31]([CH:33]([CH2:23][CH2:24][CH:34]([CH:32]([CH2:22][CH2:15][CH2:12][CH2:13][CH2:18][CH:29]([CH2:19][CH2:16][CH2:17][CH2:20][C@H:30]([CH2:26][C:28]1=[CH:25][C@H:27]([CH3:2])[O:43][C:35]1=[O:42])[OH:37])[OH:36])[OH:39])[OH:41])[OH:40])[OH:38] |
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