| Properties | Image |
|---|
| MNX_ID | MNXM160010 |
 |
| reference | lipidmapsM:LMGP15010063 |
| formula | C55H103O23P |
| global charge | 0 |
| mol weight | 1163.38 |
| InChIKey | BLKQRFGEQKAEJD-LNKZGFAYSA-N |
| InChI | InChI=1S/C55H103O23P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(58)71-35-37(73-41(59)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-72-79(69,70)78-53-51(76-54-49(67)44(62)42(60)38(33-56)74-54)47(65)46(64)48(66)52(53)77-55-50(68)45(63)43(61)39(34-57)75-55/h37-39,42-57,60-68H,3-36H2,1-2H3,(H,69,70)/t37-,38-,39-,42-,43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53-,54-,55-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H103O23P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(58)71-35-37(73-41(59)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)36-72-79(69,70)78-53-51(76-54-49(67)44(62)42(60)38(33-56)74-54)47(65)46(64)48(66)52(53)77-55-50(68)45(63)43(61)39(34-57)75-55/h37-39,42-57,60-68H,3-36H2,1-2H3,(H,69,70)/t37-,38-,39-,42-,43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53-,54-,55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:40](=[O:58])[O:71][CH2:35][C@H:37]([CH2:36][O:72][P:79]([OH:69])(=[O:70])[O:78][C@@H:53]1[C@@H:51]([O:76][C@@H:54]2[C@@H:49]([OH:67])[C@@H:44]([OH:62])[C@H:42]([OH:60])[C@@H:38]([CH2:33][OH:56])[O:74]2)[C@H:47]([OH:65])[C@@H:46]([OH:64])[C@H:48]([OH:66])[C@@H:52]1[O:77][C@@H:55]1[C@@H:50]([OH:68])[C@@H:45]([OH:63])[C@H:43]([OH:61])[C@@H:39]([CH2:34][OH:57])[O:75]1)[O:73][C:41]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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