| Properties | Image |
|---|
| MNX_ID | MNXM23122 |
 |
| reference | lipidmapsM:LMSP0601GU01 |
| formula | C105H183N5O57 |
| global charge | 0 |
| mol weight | 2427.597 |
| InChIKey | JQMMDHKTWFKOAR-OHZPDJFKSA-N |
| InChI | InChI=1S/C105H183N5O57/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-51(124)50(109-63(127)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)45-148-98-81(141)79(139)89(61(43-119)157-98)162-101-82(142)91(71(131)55(37-113)152-101)163-96-67(107-48(4)122)76(136)87(59(41-117)155-96)160-102-84(144)93(74(134)62(158-102)46-149-95-66(106-47(3)121)75(135)86(58(40-116)154-95)159-100-83(143)92(72(132)56(38-114)151-100)165-99-80(140)78(138)70(130)54(36-112)150-99)164-97-68(108-49(5)123)77(137)88(60(42-118)156-97)161-103-85(145)94(73(133)57(39-115)153-103)167-105(104(146)147)34-52(125)65(110-64(128)44-120)90(166-105)69(129)53(126)35-111/h30,32,50-62,65-103,111-120,124-126,129-145H,6-29,31,33-46H2,1-5H3,(H,106,121)(H,107,122)(H,108,123)(H,109,127)(H,110,128)(H,146,147)/b32-30+/t50-,51+,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+,66+,67+,68+,69+,70-,71-,72-,73-,74-,75+,76+,77+,78-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91-,92-,93-,94-,95+,96-,97-,98+,99+,100-,101-,102-,103-,105-/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]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C105H183N5O57/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-51(124)50(109-63(127)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)45-148-98-81(141)79(139)89(61(43-119)157-98)162-101-82(142)91(71(131)55(37-113)152-101)163-96-67(107-48(4)122)76(136)87(59(41-117)155-96)160-102-84(144)93(74(134)62(158-102)46-149-95-66(106-47(3)121)75(135)86(58(40-116)154-95)159-100-83(143)92(72(132)56(38-114)151-100)165-99-80(140)78(138)70(130)54(36-112)150-99)164-97-68(108-49(5)123)77(137)88(60(42-118)156-97)161-103-85(145)94(73(133)57(39-115)153-103)167-105(104(146)147)34-52(125)65(110-64(128)44-120)90(166-105)69(129)53(126)35-111/h30,32,50-62,65-103,111-120,124-126,129-145H,6-29,31,33-46H2,1-5H3,(H,106,121)(H,107,122)(H,108,123)(H,109,127)(H,110,128)(H,146,147)/b32-30+/t50-,51+,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+,66+,67+,68+,69+,70-,71-,72-,73-,74-,75+,76+,77+,78-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91-,92-,93-,94-,95+,96-,97-,98+,99+,100-,101-,102-,103-,105-/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:51]([C@H:50]([CH2:45][O:148][C@H:98]1[C@H:81]([OH:141])[C@@H:79]([OH:139])[C@H:89]([O:162][C@H:101]2[C@H:82]([OH:142])[C@@H:91]([O:163][C@H:96]3[C@H:67]([N:107]=[C:48]([CH3:4])[OH:122])[C@@H:76]([OH:136])[C@H:87]([O:160][C@H:102]4[C@H:84]([OH:144])[C@@H:93]([O:164][C@H:97]5[C@H:68]([N:108]=[C:49]([CH3:5])[OH:123])[C@@H:77]([OH:137])[C@H:88]([O:161][C@H:103]6[C@H:85]([OH:145])[C@@H:94]([O:167][C@:105]7([C:104](=[O:146])[OH:147])[CH2:34][C@H:52]([OH:125])[C@@H:65]([N:110]=[C:64]([CH2:44][OH:120])[OH:128])[C@H:90]([C@@H:69]([C@@H:53]([CH2:35][OH:111])[OH:126])[OH:129])[O:166]7)[C@@H:73]([OH:133])[C@@H:57]([CH2:39][OH:115])[O:153]6)[C@@H:60]([CH2:42][OH:118])[O:156]5)[C@@H:74]([OH:134])[C@@H:62]([CH2:46][O:149][C@H:95]5[C@H:66]([N:106]=[C:47]([CH3:3])[OH:121])[C@@H:75]([OH:135])[C@H:86]([O:159][C@H:100]6[C@H:83]([OH:143])[C@@H:92]([O:165][C@@H:99]7[C@H:80]([OH:140])[C@@H:78]([OH:138])[C@@H:70]([OH:130])[C@@H:54]([CH2:36][OH:112])[O:150]7)[C@@H:72]([OH:132])[C@@H:56]([CH2:38][OH:114])[O:151]6)[C@@H:58]([CH2:40][OH:116])[O:154]5)[O:158]4)[C@@H:59]([CH2:41][OH:117])[O:155]3)[C@@H:71]([OH:131])[C@@H:55]([CH2:37][OH:113])[O:152]2)[C@@H:61]([CH2:43][OH:119])[O:157]1)[N:109]=[C:63]([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:127])[OH:124] |
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