| Properties | Image |
|---|
| MNX_ID | MNXM1107014 |
 |
| reference | glycosphingo:WLNVRGVINZCFPX_KXXYWOBMSA_L |
| formula | C120H206N6O59 |
| global charge | -2 |
| mol weight | 2676.951 |
| InChIKey | WLNVRGVINZCFPX-KXXYWOBMSA-L |
| InChI | InChI=1S/C120H208N6O59/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-78(146)126-64(65(141)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)57-166-112-94(157)93(156)102(76(56-135)174-112)179-113-95(158)105(86(149)70(50-129)168-113)180-110-82(124-62(6)139)91(154)100(74(54-133)172-110)176-114-96(159)106(181-111-83(125-63(7)140)92(155)101(75(55-134)173-111)178-116-98(161)108(88(151)72(52-131)170-116)185-120(118(164)165)47-67(143)80(122-60(4)137)104(183-120)85(148)69(145)49-128)89(152)77(175-114)58-167-109-81(123-61(5)138)90(153)99(73(53-132)171-109)177-115-97(160)107(87(150)71(51-130)169-115)184-119(117(162)163)46-66(142)79(121-59(3)136)103(182-119)84(147)68(144)48-127/h22-23,42,44,64-77,79-116,127-135,141-145,147-161H,8-21,24-41,43,45-58H2,1-7H3,(H,121,136)(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,146)(H,162,163)(H,164,165)/p-2/b23-22-,44-42+/t64-,65+,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,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-,119-,120-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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@]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](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/C120H208N6O59/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-78(146)126-64(65(141)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)57-166-112-94(157)93(156)102(76(56-135)174-112)179-113-95(158)105(86(149)70(50-129)168-113)180-110-82(124-62(6)139)91(154)100(74(54-133)172-110)176-114-96(159)106(181-111-83(125-63(7)140)92(155)101(75(55-134)173-111)178-116-98(161)108(88(151)72(52-131)170-116)185-120(118(164)165)47-67(143)80(122-60(4)137)104(183-120)85(148)69(145)49-128)89(152)77(175-114)58-167-109-81(123-61(5)138)90(153)99(73(53-132)171-109)177-115-97(160)107(87(150)71(51-130)169-115)184-119(117(162)163)46-66(142)79(121-59(3)136)103(182-119)84(147)68(144)48-127/h22-23,42,44,64-77,79-116,127-135,141-145,147-161H,8-21,24-41,43,45-58H2,1-7H3,(H,121,136)(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,146)(H,162,163)(H,164,165)/b23-22-,44-42+/t64-,65+,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,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-,119-,120-/m0/s1 |
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| 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][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:78](=[N:126][C@@H:64]([CH2:57][O:166][C@H:112]1[C@H:94]([OH:157])[C@@H:93]([OH:156])[C@H:102]([O:179][C@H:113]2[C@H:95]([OH:158])[C@@H:105]([O:180][C@H:110]3[C@H:82]([N:124]=[C:62]([CH3:6])[OH:139])[C@@H:91]([OH:154])[C@H:100]([O:176][C@H:114]4[C@H:96]([OH:159])[C@@H:106]([O:181][C@@H:111]5[C@H:83]([N:125]=[C:63]([CH3:7])[OH:140])[C@@H:92]([OH:155])[C@H:101]([O:178][C@H:116]6[C@H:98]([OH:161])[C@@H:108]([O:185][C@:120]7([C:118](=[O:164])[OH:165])[CH2:47][C@H:67]([OH:143])[C@@H:80]([N:122]=[C:60]([CH3:4])[OH:137])[C@H:104]([C@@H:85]([C@@H:69]([CH2:49][OH:128])[OH:145])[OH:148])[O:183]7)[C@@H:88]([OH:151])[C@@H:72]([CH2:52][OH:131])[O:170]6)[C@@H:75]([CH2:55][OH:134])[O:173]5)[C@@H:89]([OH:152])[C@@H:77]([CH2:58][O:167][C@H:109]5[C@H:81]([N:123]=[C:61]([CH3:5])[OH:138])[C@@H:90]([OH:153])[C@H:99]([O:177][C@H:115]6[C@H:97]([OH:160])[C@@H:107]([O:184][C@:119]7([C:117](=[O:162])[OH:163])[CH2:46][C@H:66]([OH:142])[C@@H:79]([N:121]=[C:59]([CH3:3])[OH:136])[C@H:103]([C@@H:84]([C@@H:68]([CH2:48][OH:127])[OH:144])[OH:147])[O:182]7)[C@@H:87]([OH:150])[C@@H:71]([CH2:51][OH:130])[O:169]6)[C@@H:73]([CH2:53][OH:132])[O:171]5)[O:175]4)[C@@H:74]([CH2:54][OH:133])[O:172]3)[C@@H:86]([OH:149])[C@@H:70]([CH2:50][OH:129])[O:168]2)[C@@H:76]([CH2:56][OH:135])[O:174]1)[C@@H:65](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:141])[OH:146] |
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