| Properties | Image |
|---|
| MNX_ID | MNXM1130995 |
 |
| reference | lipidmapsM:LMPK03000059 |
| formula | C35H60O4 |
| global charge | 0 |
| mol weight | 544.861 |
| InChIKey | AXCHEQKQXURTDA-LRPTWTJHSA-N |
| InChI | InChI=1S/C35H60O4/c1-3-4-5-6-7-8-12-15-18-21-24-31-33(38-31)26-27-34-32(39-34)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)37-35(30)36/h15,18,28-29,31-34H,3-14,16-17,19-27H2,1-2H3/b18-15-/t29-,31?,32?,33?,34?/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCC1OC1CCC1OC1CCCCCCCCCCCCC1=C[C@H](C)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H60O4/c1-3-4-5-6-7-8-12-15-18-21-24-31-33(38-31)26-27-34-32(39-34)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)37-35(30)36/h15,18,28-29,31-34H,3-14,16-17,19-27H2,1-2H3/b18-15-/t29-,31?,32?,33?,34?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:12]/[CH:15]=[CH:18]\[CH2:21][CH2:24][CH:31]1[CH:33]([CH2:26][CH2:27][CH:34]2[CH:32]([CH2:25][CH2:22][CH2:19][CH2:16][CH2:13][CH2:10][CH2:9][CH2:11][CH2:14][CH2:17][CH2:20][CH2:23][C:30]3=[CH:28][C@H:29]([CH3:2])[O:37][C:35]3=[O:36])[O:39]2)[O:38]1 |
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