| Properties | Image |
|---|
| MNX_ID | MNXM1102502 |
 |
| reference | lipidmapsM:LMSP0505AF03 |
| formula | C78H141N3O32 |
| global charge | 0 |
| mol weight | 1632.975 |
| InChIKey | LYAXSVKURSGPAC-LKOGNIEKSA-N |
| InChI | InChI=1S/C78H141N3O32/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-54(90)81-47(48(89)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)43-102-75-66(100)64(98)69(53(42-86)108-75)109-77-67(101)70(59(93)50(39-83)105-77)111-74-56(80-46(5)88)62(96)68(52(41-85)107-74)110-78-72(113-76-65(99)63(97)57(91)44(3)103-76)71(60(94)51(40-84)106-78)112-73-55(79-45(4)87)61(95)58(92)49(38-82)104-73/h34,36,44,47-53,55-78,82-86,89,91-101H,6-33,35,37-43H2,1-5H3,(H,79,87)(H,80,88)(H,81,90)/b36-34+/t44-,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58+,59+,60+,61-,62-,63-,64-,65+,66-,67-,68-,69-,70+,71+,72-,73+,74+,75-,76-,77+,78+/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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=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/C78H141N3O32/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-54(90)81-47(48(89)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)43-102-75-66(100)64(98)69(53(42-86)108-75)109-77-67(101)70(59(93)50(39-83)105-77)111-74-56(80-46(5)88)62(96)68(52(41-85)107-74)110-78-72(113-76-65(99)63(97)57(91)44(3)103-76)71(60(94)51(40-84)106-78)112-73-55(79-45(4)87)61(95)58(92)49(38-82)104-73/h34,36,44,47-53,55-78,82-86,89,91-101H,6-33,35,37-43H2,1-5H3,(H,79,87)(H,80,88)(H,81,90)/b36-34+/t44-,47+,48-,49-,50-,51-,52-,53-,55-,56-,57-,58+,59+,60+,61-,62-,63-,64-,65+,66-,67-,68-,69-,70+,71+,72-,73+,74+,75-,76-,77+,78+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:54](=[N:81][C@@H:47]([CH2:43][O:102][C@H:75]1[C@H:66]([OH:100])[C@@H:64]([OH:98])[C@H:69]([O:109][C@H:77]2[C@H:67]([OH:101])[C@@H:70]([O:111][C@H:74]3[C@H:56]([N:80]=[C:46]([CH3:5])[OH:88])[C@@H:62]([OH:96])[C@H:68]([O:110][C@H:78]4[C@H:72]([O:113][C@@H:76]5[C@@H:65]([OH:99])[C@H:63]([OH:97])[C@H:57]([OH:91])[C@@H:44]([CH3:3])[O:103]5)[C@@H:71]([O:112][C@H:73]5[C@H:55]([N:79]=[C:45]([CH3:4])[OH:87])[C@@H:61]([OH:95])[C@@H:58]([OH:92])[C@@H:49]([CH2:38][OH:82])[O:104]5)[C@@H:60]([OH:94])[C@@H:51]([CH2:40][OH:84])[O:106]4)[C@@H:52]([CH2:41][OH:85])[O:107]3)[C@@H:59]([OH:93])[C@@H:50]([CH2:39][OH:83])[O:105]2)[C@@H:53]([CH2:42][OH:86])[O:108]1)[C@@H:48](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:89])[OH:90] |
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