| Properties | Image |
|---|
| MNX_ID | MNXM1130955 |
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| reference | lipidmapsM:LMPK03000017 |
| formula | C37H66O6 |
| global charge | 0 |
| mol weight | 606.929 |
| InChIKey | VQSNHQAJAVEYPH-XOTOMLERSA-N |
| InChI | InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32+,33+,34+,35+,36+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCC3=C[C@H](C)OC3=O)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C37H66O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32+,33+,34+,35+,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:22][C@H:31]([C@H:33]1[CH2:24][CH2:26][C@H:35]([C@H:36]2[CH2:27][CH2:25][C@H:34]([C@@H:32]([CH2:23][CH2:20][CH2:17][CH2:18][CH2:21][C:30]3=[CH:28][C@H:29]([CH3:2])[O:41][C:37]3=[O:40])[OH:39])[O:43]2)[O:42]1)[OH:38] |
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