| Properties | Image |
|---|
| MNX_ID | MNXM160142 |
 |
| reference | lipidmapsM:LMGP15010195 |
| formula | C71H129O38P |
| global charge | 0 |
| mol weight | 1621.749 |
| InChIKey | UXPUAGKNRAHWAS-ODZWAJIOSA-N |
| InChI | InChI=1S/C71H129O38P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-44(74)96-33-38(101-45(75)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-100-110(94,95)109-66-64(107-70-62(92)52(82)47(77)40(32-73)103-70)57(87)56(86)58(88)65(66)108-71-63(93)55(85)50(80)43(106-71)37-99-69-61(91)54(84)49(79)42(105-69)36-98-68-60(90)53(83)48(78)41(104-68)35-97-67-59(89)51(81)46(76)39(31-72)102-67/h38-43,46-73,76-93H,3-37H2,1-2H3,(H,94,95)/t38-,39-,40-,41-,42-,43-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=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]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H129O38P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-44(74)96-33-38(101-45(75)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-100-110(94,95)109-66-64(107-70-62(92)52(82)47(77)40(32-73)103-70)57(87)56(86)58(88)65(66)108-71-63(93)55(85)50(80)43(106-71)37-99-69-61(91)54(84)49(79)42(105-69)36-98-68-60(90)53(83)48(78)41(104-68)35-97-67-59(89)51(81)46(76)39(31-72)102-67/h38-43,46-73,76-93H,3-37H2,1-2H3,(H,94,95)/t38-,39-,40-,41-,42-,43-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-/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:44](=[O:74])[O:96][CH2:33][C@H:38]([CH2:34][O:100][P:110]([OH:94])(=[O:95])[O:109][C@@H:66]1[C@@H:64]([O:107][C@@H:70]2[C@@H:62]([OH:92])[C@@H:52]([OH:82])[C@H:47]([OH:77])[C@@H:40]([CH2:32][OH:73])[O:103]2)[C@H:57]([OH:87])[C@@H:56]([OH:86])[C@H:58]([OH:88])[C@@H:65]1[O:108][C@@H:71]1[C@@H:63]([OH:93])[C@@H:55]([OH:85])[C@H:50]([OH:80])[C@@H:43]([CH2:37][O:99][C@@H:69]2[C@@H:61]([OH:91])[C@@H:54]([OH:84])[C@H:49]([OH:79])[C@@H:42]([CH2:36][O:98][C@@H:68]3[C@@H:60]([OH:90])[C@@H:53]([OH:83])[C@H:48]([OH:78])[C@@H:41]([CH2:35][O:97][C@@H:67]4[C@@H:59]([OH:89])[C@@H:51]([OH:81])[C@H:46]([OH:76])[C@@H:39]([CH2:31][OH:72])[O:102]4)[O:104]3)[O:105]2)[O:106]1)[O:101][C:45]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:75] |
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