| Properties | Image |
|---|
| MNX_ID | MNXM157632 |
 |
| reference | lipidmapsM:LMSP03030142 |
| formula | C62H121NO26P2 |
| global charge | 0 |
| mol weight | 1358.579 |
| InChIKey | ZPYWNNAMGBCDCN-CLKAGNPJSA-N |
| InChI | InChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-43(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-56(77)52(73)51(72)55(76)59(60)87-62-57(78)47(68)46(67)44(86-62)40-85-91(82,83)88-58-53(74)49(70)48(69)50(71)54(58)75/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)/t41-,42+,43?,44+,45-,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56+,57-,58-,59+,60-,62+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](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](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-43(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-56(77)52(73)51(72)55(76)59(60)87-62-57(78)47(68)46(67)44(86-62)40-85-91(82,83)88-58-53(74)49(70)48(69)50(71)54(58)75/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)/t41-,42+,43?,44+,45-,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56+,57-,58-,59+,60-,62+/m0/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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH:43]([C:61](=[N:63][C@@H:41]([CH2:39][O:84][P:90]([OH:80])(=[O:81])[O:89][C@H:60]1[C@H:56]([OH:77])[C@@H:52]([OH:73])[C@H:51]([OH:72])[C@@H:55]([OH:76])[C@H:59]1[O:87][C@@H:62]1[C@@H:57]([OH:78])[C@@H:47]([OH:68])[C@H:46]([OH:67])[C@@H:44]([CH2:40][O:85][P:91]([OH:82])(=[O:83])[O:88][C@H:58]2[C@H:53]([OH:74])[C@@H:49]([OH:70])[C@H:48]([OH:69])[C@@H:50]([OH:71])[C@H:54]2[OH:75])[O:86]1)[C@@H:45]([C@@H:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:64])[OH:66])[OH:79])[OH:65] |
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