| Properties | Image |
|---|
| MNX_ID | MNXM25671 |
 |
| reference | lipidmapsM:LMSP0601GR01 |
| formula | C85H150N4O41 |
| global charge | 0 |
| mol weight | 1884.122 |
| InChIKey | ZVXHQNSYFASESF-ZWDRFCFESA-N |
| InChI | InChI=1S/C85H150N4O41/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(99)46(89-56(102)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-117-80-69(112)67(110)73(53(39-94)122-80)126-82-70(113)76(128-81-68(111)66(109)62(105)51(37-92)120-81)63(106)55(124-82)42-118-78-59(88-45(5)98)65(108)72(52(38-93)121-78)125-83-71(114)77(74(54(40-95)123-83)127-79-58(87-44(4)97)64(107)61(104)50(36-91)119-79)130-85(84(115)116)34-48(100)57(86-43(3)96)75(129-85)60(103)49(101)35-90/h30,32,46-55,57-83,90-95,99-101,103-114H,6-29,31,33-42H2,1-5H3,(H,86,96)(H,87,97)(H,88,98)(H,89,102)(H,115,116)/b32-30+/t46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62-,63-,64+,65+,66-,67+,68+,69+,70+,71+,72+,73+,74-,75+,76-,77+,78+,79-,80+,81+,82-,83-,85-/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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H150N4O41/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(99)46(89-56(102)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-117-80-69(112)67(110)73(53(39-94)122-80)126-82-70(113)76(128-81-68(111)66(109)62(105)51(37-92)120-81)63(106)55(124-82)42-118-78-59(88-45(5)98)65(108)72(52(38-93)121-78)125-83-71(114)77(74(54(40-95)123-83)127-79-58(87-44(4)97)64(107)61(104)50(36-91)119-79)130-85(84(115)116)34-48(100)57(86-43(3)96)75(129-85)60(103)49(101)35-90/h30,32,46-55,57-83,90-95,99-101,103-114H,6-29,31,33-42H2,1-5H3,(H,86,96)(H,87,97)(H,88,98)(H,89,102)(H,115,116)/b32-30+/t46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62-,63-,64+,65+,66-,67+,68+,69+,70+,71+,72+,73+,74-,75+,76-,77+,78+,79-,80+,81+,82-,83-,85-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:32]/[C@H:47]([C@H:46]([CH2:41][O:117][C@H:80]1[C@H:69]([OH:112])[C@@H:67]([OH:110])[C@H:73]([O:126][C@H:82]2[C@H:70]([OH:113])[C@@H:76]([O:128][C@@H:81]3[C@H:68]([OH:111])[C@@H:66]([OH:109])[C@@H:62]([OH:105])[C@@H:51]([CH2:37][OH:92])[O:120]3)[C@@H:63]([OH:106])[C@@H:55]([CH2:42][O:118][C@H:78]3[C@H:59]([N:88]=[C:45]([CH3:5])[OH:98])[C@@H:65]([OH:108])[C@H:72]([O:125][C@H:83]4[C@H:71]([OH:114])[C@@H:77]([O:130][C@:85]5([C:84](=[O:115])[OH:116])[CH2:34][C@H:48]([OH:100])[C@@H:57]([N:86]=[C:43]([CH3:3])[OH:96])[C@H:75]([C@@H:60]([C@@H:49]([CH2:35][OH:90])[OH:101])[OH:103])[O:129]5)[C@@H:74]([O:127][C@H:79]5[C@H:58]([N:87]=[C:44]([CH3:4])[OH:97])[C@@H:64]([OH:107])[C@@H:61]([OH:104])[C@@H:50]([CH2:36][OH:91])[O:119]5)[C@@H:54]([CH2:40][OH:95])[O:123]4)[C@@H:52]([CH2:38][OH:93])[O:121]3)[O:124]2)[C@@H:53]([CH2:39][OH:94])[O:122]1)[N:89]=[C:56]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:102])[OH:99] |
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