| Properties | Image |
|---|
| MNX_ID | MNXM29831 |
 |
| reference | lipidmapsM:LMSP0505AD03 |
| formula | C70H128N2O27 |
| global charge | 0 |
| mol weight | 1429.781 |
| InChIKey | FPFIAPJDFNCUMB-UWHCOYBCSA-N |
| InChI | InChI=1S/C70H128N2O27/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-50(79)72-44(45(78)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)41-90-67-60(88)58(86)63(49(40-76)95-67)96-69-61(89)64(54(82)47(38-74)92-69)98-66-51(71-43(4)77)55(83)62(48(39-75)94-66)97-70-65(57(85)53(81)46(37-73)93-70)99-68-59(87)56(84)52(80)42(3)91-68/h33,35,42,44-49,51-70,73-76,78,80-89H,5-32,34,36-41H2,1-4H3,(H,71,77)(H,72,79)/b35-33+/t42-,44+,45-,46-,47-,48-,49-,51-,52-,53+,54+,55-,56-,57+,58-,59+,60-,61-,62-,63-,64+,65-,66+,67-,68-,69+,70+/m1/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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H128N2O27/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-50(79)72-44(45(78)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)41-90-67-60(88)58(86)63(49(40-76)95-67)96-69-61(89)64(54(82)47(38-74)92-69)98-66-51(71-43(4)77)55(83)62(48(39-75)94-66)97-70-65(57(85)53(81)46(37-73)93-70)99-68-59(87)56(84)52(80)42(3)91-68/h33,35,42,44-49,51-70,73-76,78,80-89H,5-32,34,36-41H2,1-4H3,(H,71,77)(H,72,79)/b35-33+/t42-,44+,45-,46-,47-,48-,49-,51-,52-,53+,54+,55-,56-,57+,58-,59+,60-,61-,62-,63-,64+,65-,66+,67-,68-,69+,70+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:50](=[N:72][C@@H:44]([CH2:41][O:90][C@H:67]1[C@H:60]([OH:88])[C@@H:58]([OH:86])[C@H:63]([O:96][C@H:69]2[C@H:61]([OH:89])[C@@H:64]([O:98][C@H:66]3[C@H:51]([N:71]=[C:43]([CH3:4])[OH:77])[C@@H:55]([OH:83])[C@H:62]([O:97][C@H:70]4[C@H:65]([O:99][C@@H:68]5[C@@H:59]([OH:87])[C@H:56]([OH:84])[C@H:52]([OH:80])[C@@H:42]([CH3:3])[O:91]5)[C@@H:57]([OH:85])[C@@H:53]([OH:81])[C@@H:46]([CH2:37][OH:73])[O:93]4)[C@@H:48]([CH2:39][OH:75])[O:94]3)[C@@H:54]([OH:82])[C@@H:47]([CH2:38][OH:74])[O:92]2)[C@@H:49]([CH2:40][OH:76])[O:95]1)[C@@H:45](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:78])[OH:79] |
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