| Properties | Image |
|---|
| MNX_ID | MNXM150682 |
 |
| reference | lipidmapsM:LMST01040232 |
| formula | C55H92O7 |
| global charge | 0 |
| mol weight | 865.334 |
| InChIKey | MZOCHDCQVFFPEH-NORTWZQSSA-N |
| InChI | InChI=1S/C55H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-49(56)60-38-48-50(57)51(58)52(59)53(62-48)61-43-33-35-54(6)42(37-43)29-30-44-46-32-31-45(55(46,7)36-34-47(44)54)40(5)27-28-41(9-2)39(3)4/h13-14,16-17,27-29,39-41,43-48,50-53,57-59H,8-12,15,18-26,30-38H2,1-7H3/b14-13-,17-16-,28-27+/t40-,41-,43+,44+,45-,46+,47+,48-,50-,51+,52-,53-,54+,55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-49(56)60-38-48-50(57)51(58)52(59)53(62-48)61-43-33-35-54(6)42(37-43)29-30-44-46-32-31-45(55(46,7)36-34-47(44)54)40(5)27-28-41(9-2)39(3)4/h13-14,16-17,27-29,39-41,43-48,50-53,57-59H,8-12,15,18-26,30-38H2,1-7H3/b14-13-,17-16-,28-27+/t40-,41-,43+,44+,45-,46+,47+,48-,50-,51+,52-,53-,54+,55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:49](=[O:56])[O:60][CH2:38][C@@H:48]1[C@@H:50]([OH:57])[C@H:51]([OH:58])[C@@H:52]([OH:59])[C@H:53]([O:61][C@H:43]2[CH2:33][CH2:35][C@@:54]3([CH3:6])[C:42](=[CH:29][CH2:30][C@H:44]4[C@@H:46]5[CH2:32][CH2:31][C@H:45]([C@H:40]([CH3:5])/[CH:27]=[CH:28]/[C@@H:41]([CH2:9][CH3:2])[CH:39]([CH3:3])[CH3:4])[C@@:55]5([CH3:7])[CH2:36][CH2:34][C@@H:47]43)[CH2:37]2)[O:62]1 |
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