| Properties | Image |
|---|
| MNX_ID | MNXM151732 |
 |
| reference | lipidmapsM:LMSL03001285 |
| formula | C76H146O17S |
| global charge | 0 |
| mol weight | 1364.054 |
| InChIKey | HQVWTQHAWLVAHY-JZJOIIIISA-N |
| InChI | InChI=1S/C76H146O17S/c1-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-64(79)62(11)50-60(9)48-58(7)46-56(5)44-54(3)43-55(4)45-57(6)47-59(8)49-61(10)51-63(12)74(84)91-71-69(82)66(53-78)89-76(92-75-72(93-94(85,86)87)70(83)68(81)65(52-77)88-75)73(71)90-67(80)42-40-38-36-34-32-29-26-24-22-20-18-16-14-2/h54-66,68-73,75-79,81-83H,13-53H2,1-12H3,(H,85,86,87)/t54-,55+,56-,57+,58-,59+,60-,61+,62-,63+,64?,65-,66-,68-,69-,70+,71+,72-,73-,75-,76-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H146O17S/c1-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-64(79)62(11)50-60(9)48-58(7)46-56(5)44-54(3)43-55(4)45-57(6)47-59(8)49-61(10)51-63(12)74(84)91-71-69(82)66(53-78)89-76(92-75-72(93-94(85,86)87)70(83)68(81)65(52-77)88-75)73(71)90-67(80)42-40-38-36-34-32-29-26-24-22-20-18-16-14-2/h54-66,68-73,75-79,81-83H,13-53H2,1-12H3,(H,85,86,87)/t54-,55+,56-,57+,58-,59+,60-,61+,62-,63+,64?,65-,66-,68-,69-,70+,71+,72-,73-,75-,76-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH:64]([C@H:62]([CH3:11])[CH2:50][C@H:60]([CH3:9])[CH2:48][C@H:58]([CH3:7])[CH2:46][C@H:56]([CH3:5])[CH2:44][C@H:54]([CH3:3])[CH2:43][C@H:55]([CH3:4])[CH2:45][C@H:57]([CH3:6])[CH2:47][C@H:59]([CH3:8])[CH2:49][C@H:61]([CH3:10])[CH2:51][C@H:63]([CH3:12])[C:74](=[O:84])[O:91][C@H:71]1[C@H:69]([OH:82])[C@@H:66]([CH2:53][OH:78])[O:89][C@H:76]([O:92][C@@H:75]2[C@H:72]([O:93][S:94]([OH:85])(=[O:86])=[O:87])[C@@H:70]([OH:83])[C@H:68]([OH:81])[C@@H:65]([CH2:52][OH:77])[O:88]2)[C@@H:73]1[O:90][C:67]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH3:2])=[O:80])[OH:79] |
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