| Properties | Image |
|---|
| MNX_ID | MNXM160057 |
 |
| reference | lipidmapsM:LMGP15010110 |
| formula | C59H109O28P |
| global charge | 0 |
| mol weight | 1297.467 |
| InChIKey | NVTAATPOLFRYBG-MBMNIARKSA-N |
| InChI | InChI=1S/C59H109O28P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-40(62)78-33-36(81-41(63)30-28-26-24-22-19-14-12-10-8-6-4-2)34-80-88(76,77)87-56-54(85-58-52(74)46(68)43(65)38(32-61)83-58)49(71)48(70)50(72)55(56)86-59-53(75)47(69)44(66)39(84-59)35-79-57-51(73)45(67)42(64)37(31-60)82-57/h36-39,42-61,64-75H,3-35H2,1-2H3,(H,76,77)/t36-,37-,38-,39-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+,58-,59-/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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H109O28P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-40(62)78-33-36(81-41(63)30-28-26-24-22-19-14-12-10-8-6-4-2)34-80-88(76,77)87-56-54(85-58-52(74)46(68)43(65)38(32-61)83-58)49(71)48(70)50(72)55(56)86-59-53(75)47(69)44(66)39(84-59)35-79-57-51(73)45(67)42(64)37(31-60)82-57/h36-39,42-61,64-75H,3-35H2,1-2H3,(H,76,77)/t36-,37-,38-,39-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+,58-,59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:40](=[O:62])[O:78][CH2:33][C@H:36]([CH2:34][O:80][P:88]([OH:76])(=[O:77])[O:87][C@@H:56]1[C@@H:54]([O:85][C@@H:58]2[C@@H:52]([OH:74])[C@@H:46]([OH:68])[C@H:43]([OH:65])[C@@H:38]([CH2:32][OH:61])[O:83]2)[C@H:49]([OH:71])[C@@H:48]([OH:70])[C@H:50]([OH:72])[C@@H:55]1[O:86][C@@H:59]1[C@@H:53]([OH:75])[C@@H:47]([OH:69])[C@H:44]([OH:66])[C@@H:39]([CH2:35][O:79][C@@H:57]2[C@@H:51]([OH:73])[C@@H:45]([OH:67])[C@H:42]([OH:64])[C@@H:37]([CH2:31][OH:60])[O:82]2)[O:84]1)[O:81][C:41]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63] |
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