| Properties | Image |
|---|
| MNX_ID | MNXM160029 |
 |
| reference | lipidmapsM:LMGP15010082 |
| formula | C56H103O23P |
| global charge | 0 |
| mol weight | 1175.391 |
| InChIKey | JWCZZUBDXDJLCE-XSIZMRDLSA-N |
| InChI | InChI=1S/C56H103O23P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-41(59)72-36-38(74-42(60)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)37-73-80(70,71)79-54-52(77-55-50(68)45(63)43(61)39(34-57)75-55)48(66)47(65)49(67)53(54)78-56-51(69)46(64)44(62)40(35-58)76-56/h14,16,38-40,43-58,61-69H,3-13,15,17-37H2,1-2H3,(H,70,71)/b16-14-/t38-,39-,40-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,53+,54-,55-,56-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C56H103O23P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-41(59)72-36-38(74-42(60)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)37-73-80(70,71)79-54-52(77-55-50(68)45(63)43(61)39(34-57)75-55)48(66)47(65)49(67)53(54)78-56-51(69)46(64)44(62)40(35-58)76-56/h14,16,38-40,43-58,61-69H,3-13,15,17-37H2,1-2H3,(H,70,71)/b16-14-/t38-,39-,40-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,53+,54-,55-,56-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:41](=[O:59])[O:72][CH2:36][C@H:38]([CH2:37][O:73][P:80]([OH:70])(=[O:71])[O:79][C@@H:54]1[C@@H:52]([O:77][C@@H:55]2[C@@H:50]([OH:68])[C@@H:45]([OH:63])[C@H:43]([OH:61])[C@@H:39]([CH2:34][OH:57])[O:75]2)[C@H:48]([OH:66])[C@@H:47]([OH:65])[C@H:49]([OH:67])[C@@H:53]1[O:78][C@@H:56]1[C@@H:51]([OH:69])[C@@H:46]([OH:64])[C@H:44]([OH:62])[C@@H:40]([CH2:35][OH:58])[O:76]1)[O:74][C:42]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60] |
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