| Properties | Image |
| MNX_ID | MNXM27647 |
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| reference | lipidmapsM:LMSP0505DX07 |
| formula | C116H203N5O56 |
| global charge | 0 |
| mol weight | 2563.879 |
| InChIKey | VZCCAIZSQDXMCC-QCOHESGWSA-N |
| InChI | InChI=1S/C116H203N5O56/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(135)121-61(62(134)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)53-156-110-94(153)91(150)100(70(52-129)167-110)170-113-95(154)101(81(140)65(47-124)161-113)173-108-75(119-59(7)132)86(145)97(68(50-127)165-108)169-114-96(155)102(83(142)71(168-114)54-157-106-74(118-58(6)131)85(144)98(67(49-126)164-106)171-115-104(90(149)80(139)64(46-123)162-115)176-111-92(151)88(147)77(136)55(3)158-111)174-109-76(120-60(8)133)87(146)99(69(51-128)166-109)172-116-105(177-112-93(152)89(148)78(137)56(4)159-112)103(82(141)66(48-125)163-116)175-107-73(117-57(5)130)84(143)79(138)63(45-122)160-107/h23-24,41,43,55-56,61-71,73-116,122-129,134,136-155H,9-22,25-40,42,44-54H2,1-8H3,(H,117,130)(H,118,131)(H,119,132)(H,120,133)(H,121,135)/b24-23-,43-41+/t55-,56-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,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+,104-,105-,106-,107-,108+,109+,110-,111-,112-,113+,114+,115+,116+/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]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@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[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]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/C116H203N5O56/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(135)121-61(62(134)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)53-156-110-94(153)91(150)100(70(52-129)167-110)170-113-95(154)101(81(140)65(47-124)161-113)173-108-75(119-59(7)132)86(145)97(68(50-127)165-108)169-114-96(155)102(83(142)71(168-114)54-157-106-74(118-58(6)131)85(144)98(67(49-126)164-106)171-115-104(90(149)80(139)64(46-123)162-115)176-111-92(151)88(147)77(136)55(3)158-111)174-109-76(120-60(8)133)87(146)99(69(51-128)166-109)172-116-105(177-112-93(152)89(148)78(137)56(4)159-112)103(82(141)66(48-125)163-116)175-107-73(117-57(5)130)84(143)79(138)63(45-122)160-107/h23-24,41,43,55-56,61-71,73-116,122-129,134,136-155H,9-22,25-40,42,44-54H2,1-8H3,(H,117,130)(H,118,131)(H,119,132)(H,120,133)(H,121,135)/b24-23-,43-41+/t55-,56-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,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+,104-,105-,106-,107-,108+,109+,110-,111-,112-,113+,114+,115+,116+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:72](=[N:121][C@@H:61]([CH2:53][O:156][C@H:110]1[C@H:94]([OH:153])[C@@H:91]([OH:150])[C@H:100]([O:170][C@H:113]2[C@H:95]([OH:154])[C@@H:101]([O:173][C@H:108]3[C@H:75]([N:119]=[C:59]([CH3:7])[OH:132])[C@@H:86]([OH:145])[C@H:97]([O:169][C@H:114]4[C@H:96]([OH:155])[C@@H:102]([O:174][C@H:109]5[C@H:76]([N:120]=[C:60]([CH3:8])[OH:133])[C@@H:87]([OH:146])[C@H:99]([O:172][C@H:116]6[C@H:105]([O:177][C@@H:112]7[C@@H:93]([OH:152])[C@H:89]([OH:148])[C@H:78]([OH:137])[C@@H:56]([CH3:4])[O:159]7)[C@@H:103]([O:175][C@@H:107]7[C@H:73]([N:117]=[C:57]([CH3:5])[OH:130])[C@@H:84]([OH:143])[C@@H:79]([OH:138])[C@@H:63]([CH2:45][OH:122])[O:160]7)[C@@H:82]([OH:141])[C@@H:66]([CH2:48][OH:125])[O:163]6)[C@@H:69]([CH2:51][OH:128])[O:166]5)[C@@H:83]([OH:142])[C@@H:71]([CH2:54][O:157][C@H:106]5[C@H:74]([N:118]=[C:58]([CH3:6])[OH:131])[C@@H:85]([OH:144])[C@H:98]([O:171][C@H:115]6[C@H:104]([O:176][C@@H:111]7[C@@H:92]([OH:151])[C@H:88]([OH:147])[C@H:77]([OH:136])[C@@H:55]([CH3:3])[O:158]7)[C@@H:90]([OH:149])[C@@H:80]([OH:139])[C@@H:64]([CH2:46][OH:123])[O:162]6)[C@@H:67]([CH2:49][OH:126])[O:164]5)[O:168]4)[C@@H:68]([CH2:50][OH:127])[O:165]3)[C@@H:81]([OH:140])[C@@H:65]([CH2:47][OH:124])[O:161]2)[C@@H:70]([CH2:52][OH:129])[O:167]1)[C@@H:62](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:134])[OH:135] |
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