| Properties | Image |
|---|
| MNX_ID | MNXM1130953 |
 |
| reference | lipidmapsM:LMPK03000015 |
| formula | C37H66O7 |
| global charge | 0 |
| mol weight | 622.928 |
| InChIKey | ZRAMZGVSSDNJQY-OKFJYEHJSA-N |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-10-16-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-12-11-15-20-30(38)19-14-9-7-8-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1 |
| SMILES | CCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCC(O)CCCCCCCC3=C[C@H](C)OC3=O)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C37H66O7/c1-3-4-5-6-10-16-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-12-11-15-20-30(38)19-14-9-7-8-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:10][CH2:16][CH2:21][C@@H:31]([C@H:33]1[CH2:23][CH2:25][C@H:35]([C@H:36]2[CH2:26][CH2:24][C@H:34]([C@@H:32]([CH2:22][CH2:17][CH2:12][CH2:11][CH2:15][CH2:20][CH:30]([CH2:19][CH2:14][CH2:9][CH2:7][CH2:8][CH2:13][CH2:18][C:29]3=[CH:27][C@H:28]([CH3:2])[O:42][C:37]3=[O:41])[OH:38])[OH:40])[O:44]2)[O:43]1)[OH:39] |
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