| Properties | Image |
|---|
| MNX_ID | MNXM26220 |
 |
| reference | lipidmapsM:LMSP0506AM06 |
| formula | C84H153N3O33 |
| global charge | 0 |
| mol weight | 1733.136 |
| InChIKey | NFQZISHRYNQAKD-KANOQVNXSA-N |
| InChI | InChI=1S/C84H153N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(96)87-52(53(95)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-109-81-72(106)69(103)77(57(46-91)114-81)119-84-74(108)78(120-82-71(105)68(102)64(98)55(44-89)112-82)65(99)59(116-84)49-110-79-62(86-51(4)94)67(101)75(56(45-90)113-79)118-83-73(107)70(104)76(58(47-92)115-83)117-80-61(85-50(3)93)66(100)63(97)54(43-88)111-80/h39,41,52-59,61-84,88-92,95,97-108H,5-38,40,42-49H2,1-4H3,(H,85,93)(H,86,94)(H,87,96)/b41-39+/t52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63-,64-,65-,66+,67+,68-,69+,70+,71+,72+,73+,74+,75+,76-,77+,78-,79+,80-,81+,82+,83-,84-/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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[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)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C84H153N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(96)87-52(53(95)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-109-81-72(106)69(103)77(57(46-91)114-81)119-84-74(108)78(120-82-71(105)68(102)64(98)55(44-89)112-82)65(99)59(116-84)49-110-79-62(86-51(4)94)67(101)75(56(45-90)113-79)118-83-73(107)70(104)76(58(47-92)115-83)117-80-61(85-50(3)93)66(100)63(97)54(43-88)111-80/h39,41,52-59,61-84,88-92,95,97-108H,5-38,40,42-49H2,1-4H3,(H,85,93)(H,86,94)(H,87,96)/b41-39+/t52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63-,64-,65-,66+,67+,68-,69+,70+,71+,72+,73+,74+,75+,76-,77+,78-,79+,80-,81+,82+,83-,84-/m0/s1 |
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| 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][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:60](=[N:87][C@@H:52]([CH2:48][O:109][C@H:81]1[C@H:72]([OH:106])[C@@H:69]([OH:103])[C@H:77]([O:119][C@H:84]2[C@H:74]([OH:108])[C@@H:78]([O:120][C@@H:82]3[C@H:71]([OH:105])[C@@H:68]([OH:102])[C@@H:64]([OH:98])[C@@H:55]([CH2:44][OH:89])[O:112]3)[C@@H:65]([OH:99])[C@@H:59]([CH2:49][O:110][C@H:79]3[C@H:62]([N:86]=[C:51]([CH3:4])[OH:94])[C@@H:67]([OH:101])[C@H:75]([O:118][C@H:83]4[C@H:73]([OH:107])[C@@H:70]([OH:104])[C@@H:76]([O:117][C@H:80]5[C@H:61]([N:85]=[C:50]([CH3:3])[OH:93])[C@@H:66]([OH:100])[C@@H:63]([OH:97])[C@@H:54]([CH2:43][OH:88])[O:111]5)[C@@H:58]([CH2:47][OH:92])[O:115]4)[C@@H:56]([CH2:45][OH:90])[O:113]3)[O:116]2)[C@@H:57]([CH2:46][OH:91])[O:114]1)[C@@H:53](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:95])[OH:96] |
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