| Properties | Image |
|---|
| MNX_ID | MNXM23184 |
 |
| reference | lipidmapsM:LMSP0601FZ07 |
| formula | C119H207N5O60 |
| global charge | 0 |
| mol weight | 2667.94 |
| InChIKey | NLAVBUPJFABJNL-MWXGFZHDSA-N |
| InChI | InChI=1S/C119H207N5O60/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-74(141)124-61(62(138)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)54-163-111-94(157)91(154)101(72(53-133)173-111)177-114-95(158)103(82(145)66(47-127)167-114)179-109-77(122-59(6)136)87(150)98(70(51-131)171-109)175-115-96(159)104(180-110-78(123-60(7)137)88(151)99(71(52-132)172-110)176-116-97(160)105(83(146)67(48-128)168-116)184-119(118(161)162)44-63(139)75(120-57(4)134)102(183-119)80(143)64(140)45-125)85(148)73(174-115)55-164-108-76(121-58(5)135)86(149)100(69(50-130)170-108)178-117-107(182-112-92(155)89(152)79(142)56(3)165-112)106(84(147)68(49-129)169-117)181-113-93(156)90(153)81(144)65(46-126)166-113/h22-23,40,42,56,61-73,75-117,125-133,138-140,142-160H,8-21,24-39,41,43-55H2,1-7H3,(H,120,134)(H,121,135)(H,122,136)(H,123,137)(H,124,141)(H,161,162)/b23-22-,42-40+/t56-,61+,62-,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,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+,104+,105+,106+,107-,108-,109+,110+,111-,112-,113-,114+,115+,116+,117+,119+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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]6O[C@H](C)[C@@H](O)[C@@H](O)[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(C)=O)[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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C119H207N5O60/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-74(141)124-61(62(138)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)54-163-111-94(157)91(154)101(72(53-133)173-111)177-114-95(158)103(82(145)66(47-127)167-114)179-109-77(122-59(6)136)87(150)98(70(51-131)171-109)175-115-96(159)104(180-110-78(123-60(7)137)88(151)99(71(52-132)172-110)176-116-97(160)105(83(146)67(48-128)168-116)184-119(118(161)162)44-63(139)75(120-57(4)134)102(183-119)80(143)64(140)45-125)85(148)73(174-115)55-164-108-76(121-58(5)135)86(149)100(69(50-130)170-108)178-117-107(182-112-92(155)89(152)79(142)56(3)165-112)106(84(147)68(49-129)169-117)181-113-93(156)90(153)81(144)65(46-126)166-113/h22-23,40,42,56,61-73,75-117,125-133,138-140,142-160H,8-21,24-39,41,43-55H2,1-7H3,(H,120,134)(H,121,135)(H,122,136)(H,123,137)(H,124,141)(H,161,162)/b23-22-,42-40+/t56-,61+,62-,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,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+,104+,105+,106+,107-,108-,109+,110+,111-,112-,113-,114+,115+,116+,117+,119+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:74](=[N:124][C@@H:61]([CH2:54][O:163][C@H:111]1[C@H:94]([OH:157])[C@@H:91]([OH:154])[C@H:101]([O:177][C@H:114]2[C@H:95]([OH:158])[C@@H:103]([O:179][C@H:109]3[C@H:77]([N:122]=[C:59]([CH3:6])[OH:136])[C@@H:87]([OH:150])[C@H:98]([O:175][C@H:115]4[C@H:96]([OH:159])[C@@H:104]([O:180][C@H:110]5[C@H:78]([N:123]=[C:60]([CH3:7])[OH:137])[C@@H:88]([OH:151])[C@H:99]([O:176][C@H:116]6[C@H:97]([OH:160])[C@@H:105]([O:184][C@:119]7([C:118](=[O:161])[OH:162])[CH2:44][C@H:63]([OH:139])[C@@H:75]([N:120]=[C:57]([CH3:4])[OH:134])[C@H:102]([C@@H:80]([C@@H:64]([CH2:45][OH:125])[OH:140])[OH:143])[O:183]7)[C@@H:83]([OH:146])[C@@H:67]([CH2:48][OH:128])[O:168]6)[C@@H:71]([CH2:52][OH:132])[O:172]5)[C@@H:85]([OH:148])[C@@H:73]([CH2:55][O:164][C@H:108]5[C@H:76]([N:121]=[C:58]([CH3:5])[OH:135])[C@@H:86]([OH:149])[C@H:100]([O:178][C@H:117]6[C@H:107]([O:182][C@@H:112]7[C@@H:92]([OH:155])[C@H:89]([OH:152])[C@H:79]([OH:142])[C@@H:56]([CH3:3])[O:165]7)[C@@H:106]([O:181][C@@H:113]7[C@H:93]([OH:156])[C@@H:90]([OH:153])[C@@H:81]([OH:144])[C@@H:65]([CH2:46][OH:126])[O:166]7)[C@@H:84]([OH:147])[C@@H:68]([CH2:49][OH:129])[O:169]6)[C@@H:69]([CH2:50][OH:130])[O:170]5)[O:174]4)[C@@H:70]([CH2:51][OH:131])[O:171]3)[C@@H:82]([OH:145])[C@@H:66]([CH2:47][OH:127])[O:167]2)[C@@H:72]([CH2:53][OH:133])[O:173]1)[C@@H:62](/[CH:42]=[CH:40]/[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:138])[OH:141] |
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