| Properties | Image |
|---|
| MNX_ID | MNXM159952 |
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| reference | lipidmapsM:LMGP15010005 |
| formula | C47H85O18P |
| global charge | 0 |
| mol weight | 969.153 |
| InChIKey | XPZOFVAZZMCCPN-PHFHLPAZSA-N |
| InChI | InChI=1S/C47H85O18P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(49)60-32-34(62-37(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-61-66(58,59)65-46-43(56)41(54)40(53)42(55)45(46)64-47-44(57)39(52)38(51)35(31-48)63-47/h8,10,14,16,34-35,38-48,51-57H,3-7,9,11-13,15,17-33H2,1-2H3,(H,58,59)/b10-8-,16-14-/t34-,35-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1[C@@H](O)[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/C47H85O18P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(49)60-32-34(62-37(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-61-66(58,59)65-46-43(56)41(54)40(53)42(55)45(46)64-47-44(57)39(52)38(51)35(31-48)63-47/h8,10,14,16,34-35,38-48,51-57H,3-7,9,11-13,15,17-33H2,1-2H3,(H,58,59)/b10-8-,16-14-/t34-,35-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:36](=[O:49])[O:60][CH2:32][C@H:34]([CH2:33][O:61][P:66]([OH:58])(=[O:59])[O:65][C@H:46]1[C@@H:43]([OH:56])[C@@H:41]([OH:54])[C@H:40]([OH:53])[C@@H:42]([OH:55])[C@@H:45]1[O:64][C@@H:47]1[C@@H:44]([OH:57])[C@@H:39]([OH:52])[C@H:38]([OH:51])[C@@H:35]([CH2:31][OH:48])[O:63]1)[O:62][C:37]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:50] |
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