| Properties | Image |
|---|
| MNX_ID | MNXM106868 |
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| reference | lipidmapsM:LMSP05010077 |
| formula | C45H89NO10 |
| global charge | 0 |
| mol weight | 804.204 |
| InChIKey | WEZNHIWHEVJNDO-XKFNKPFMSA-N |
| InChI | InChI=1S/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37+,38+,39+,40-,41+,42-,43+,45+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37+,38+,39+,40-,41+,42-,43+,45+/m0/s1 |
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| SMILES (mnx) | [CH3:1][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][CH2:17][CH2:18][CH2:23][CH2:26][CH2:29][CH2:32][C@H:38]([C:44](=[N:46][C@@H:36]([CH2:34][O:55][C@H:45]1[C@H:43]([OH:53])[C@@H:42]([OH:52])[C@H:41]([OH:51])[C@@H:39]([CH2:33][OH:47])[O:56]1)[C@@H:40]([C@@H:37]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:20][CH2:19][CH2:21][CH2:24][CH2:27][CH2:30][CH:35]([CH3:2])[CH3:3])[OH:48])[OH:50])[OH:54])[OH:49] |
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