| Properties | Image |
|---|
| MNX_ID | MNXM157531 |
 |
| reference | lipidmapsM:LMGP15040041 |
| formula | C61H109O42P |
| global charge | 0 |
| mol weight | 1545.475 |
| InChIKey | HDJLQIVHQLHXJN-RUCHIJSCSA-N |
| InChI | InChI=1S/C61H109O42P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-31(65)89-18-24(64)19-94-104(87,88)103-55-53(101-60-51(85)39(73)33(67)26(17-63)96-60)45(79)44(78)46(80)54(55)102-61-52(86)43(77)37(71)30(100-61)23-93-59-50(84)42(76)36(70)29(99-59)22-92-58-49(83)41(75)35(69)28(98-58)21-91-57-48(82)40(74)34(68)27(97-57)20-90-56-47(81)38(72)32(66)25(16-62)95-56/h24-30,32-64,66-86H,2-23H2,1H3,(H,87,88)/t24-,25-,26-,27-,28-,29-,30-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55-,56+,57+,58+,59+,60-,61-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[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 |
MNX internals
| InChI (mnx) | InChI=1/C61H109O42P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-31(65)89-18-24(64)19-94-104(87,88)103-55-53(101-60-51(85)39(73)33(67)26(17-63)96-60)45(79)44(78)46(80)54(55)102-61-52(86)43(77)37(71)30(100-61)23-93-59-50(84)42(76)36(70)29(99-59)22-92-58-49(83)41(75)35(69)28(98-58)21-91-57-48(82)40(74)34(68)27(97-57)20-90-56-47(81)38(72)32(66)25(16-62)95-56/h24-30,32-64,66-86H,2-23H2,1H3,(H,87,88)/t24-,25-,26-,27-,28-,29-,30-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55-,56+,57+,58+,59+,60-,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:31](=[O:65])[O:89][CH2:18][C@H:24]([CH2:19][O:94][P:104]([OH:87])(=[O:88])[O:103][C@@H:55]1[C@@H:53]([O:101][C@@H:60]2[C@@H:51]([OH:85])[C@@H:39]([OH:73])[C@H:33]([OH:67])[C@@H:26]([CH2:17][OH:63])[O:96]2)[C@H:45]([OH:79])[C@@H:44]([OH:78])[C@H:46]([OH:80])[C@@H:54]1[O:102][C@@H:61]1[C@@H:52]([OH:86])[C@@H:43]([OH:77])[C@H:37]([OH:71])[C@@H:30]([CH2:23][O:93][C@@H:59]2[C@@H:50]([OH:84])[C@@H:42]([OH:76])[C@H:36]([OH:70])[C@@H:29]([CH2:22][O:92][C@@H:58]3[C@@H:49]([OH:83])[C@@H:41]([OH:75])[C@H:35]([OH:69])[C@@H:28]([CH2:21][O:91][C@@H:57]4[C@@H:48]([OH:82])[C@@H:40]([OH:74])[C@H:34]([OH:68])[C@@H:27]([CH2:20][O:90][C@@H:56]5[C@@H:47]([OH:81])[C@@H:38]([OH:72])[C@H:32]([OH:66])[C@@H:25]([CH2:16][OH:62])[O:95]5)[O:97]4)[O:98]3)[O:99]2)[O:100]1)[OH:64] |
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