| Properties | Image |
|---|
| MNX_ID | MNXM24134 |
 |
| reference | lipidmapsM:LMSP0507AA03 |
| formula | C56H105NO18 |
| global charge | 0 |
| mol weight | 1080.445 |
| InChIKey | BHUWZGFARMOALN-CFXXYMGCSA-N |
| InChI | InChI=1S/C56H105NO18/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(62)57-39(40(61)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-70-54-50(68)48(66)52(43(37-60)73-54)74-56-51(69)53(46(64)42(36-59)72-56)75-55-49(67)47(65)45(63)41(35-58)71-55/h31,33,39-43,45-56,58-61,63-69H,3-30,32,34-38H2,1-2H3,(H,57,62)/b33-31+/t39-,40+,41+,42+,43+,45+,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,56-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H105NO18/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(62)57-39(40(61)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-70-54-50(68)48(66)52(43(37-60)73-54)74-56-51(69)53(46(64)42(36-59)72-56)75-55-49(67)47(65)45(63)41(35-58)71-55/h31,33,39-43,45-56,58-61,63-69H,3-30,32,34-38H2,1-2H3,(H,57,62)/b33-31+/t39-,40+,41+,42+,43+,45+,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,56-/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][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:44](=[N:57][C@@H:39]([CH2:38][O:70][C@H:54]1[C@H:50]([OH:68])[C@@H:48]([OH:66])[C@H:52]([O:74][C@H:56]2[C@@H:51]([OH:69])[C@@H:53]([O:75][C@@H:55]3[C@@H:49]([OH:67])[C@@H:47]([OH:65])[C@H:45]([OH:63])[C@@H:41]([CH2:35][OH:58])[O:71]3)[C@H:46]([OH:64])[C@@H:42]([CH2:36][OH:59])[O:72]2)[C@@H:43]([CH2:37][OH:60])[O:73]1)[C@@H:40](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:61])[OH:62] |
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