| Properties | Image (std) | Image (mnx) |
|---|
| MNX_ID | MNXM1421455 |
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 |
| reference | glycosphingo:GGWOJIVUXLGJAF_UINRQYLOSA_N |
| formula (std) | C110H195N5O54 |
| global charge (std) | 0 |
| mol weight (std) | 2451.751 |
| InChIKey (std) | GGWOJIVUXLGJAF-UINRQYLOSA-N |
| InChI (std) | InChI=1S/C110H195N5O54/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(130)100(149)115-57(58(129)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)51-150-105-87(144)85(142)95(68(50-124)160-105)165-109-89(146)97(77(134)63(45-119)156-109)167-103-72(113-55(5)127)82(139)93(66(48-122)158-103)163-107-88(145)96(76(133)62(44-118)154-107)166-104-73(114-56(6)128)83(140)94(67(49-123)159-104)164-110-91(148)99(168-102-70(111-53(3)125)80(137)74(131)60(42-116)152-102)79(136)69(161-110)52-151-101-71(112-54(4)126)81(138)92(65(47-121)157-101)162-108-90(147)98(78(135)64(46-120)155-108)169-106-86(143)84(141)75(132)61(43-117)153-106/h21-22,57-99,101-110,116-124,129-148H,7-20,23-52H2,1-6H3,(H,111,125)(H,112,126)(H,113,127)(H,114,128)(H,115,149)/b22-21-/t57-,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+,84-,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96-,97-,98-,99-,101+,102-,103-,104-,105+,106+,107-,108-,109-,110-/m0/s1 |
| InChI (mnx) | InChI=1/C110H195N5O54/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(130)100(149)115-57(58(129)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)51-150-105-87(144)85(142)95(68(50-124)160-105)165-109-89(146)97(77(134)63(45-119)156-109)167-103-72(113-55(5)127)82(139)93(66(48-122)158-103)163-107-88(145)96(76(133)62(44-118)154-107)166-104-73(114-56(6)128)83(140)94(67(49-123)159-104)164-110-91(148)99(168-102-70(111-53(3)125)80(137)74(131)60(42-116)152-102)79(136)69(161-110)52-151-101-71(112-54(4)126)81(138)92(65(47-121)157-101)162-108-90(147)98(78(135)64(46-120)155-108)169-106-86(143)84(141)75(132)61(43-117)153-106/h21-22,57-99,101-110,116-124,129-148H,7-20,23-52H2,1-6H3,(H,111,125)(H,112,126)(H,113,127)(H,114,128)(H,115,149)/b22-21-/t57-,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+,84-,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96-,97-,98-,99-,101+,102-,103-,104-,105+,106+,107-,108-,109-,110-/m0/s1 |
| SMILES (std) | CCCCCCCC/C=CU+005CCCCCCCCCCCCCC(O)C(=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](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[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](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)CCCCCCCCCCCCCCC |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19]/[CH:21]=[CH:22]U+005C[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH:59]([C:100](=[N:115][C@@H:57]([CH2:51][O:150][C@H:105]1[C@H:87]([OH:144])[C@@H:85]([OH:142])[C@H:95]([O:165][C@H:109]2[C@H:89]([OH:146])[C@@H:97]([O:167][C@H:103]3[C@H:72]([N:113]=[C:55]([CH3:5])[OH:127])[C@@H:82]([OH:139])[C@H:93]([O:163][C@H:107]4[C@H:88]([OH:145])[C@@H:96]([O:166][C@H:104]5[C@H:73]([N:114]=[C:56]([CH3:6])[OH:128])[C@@H:83]([OH:140])[C@H:94]([O:164][C@H:110]6[C@H:91]([OH:148])[C@@H:99]([O:168][C@H:102]7[C@H:70]([N:111]=[C:53]([CH3:3])[OH:125])[C@@H:80]([OH:137])[C@H:74]([OH:131])[C@@H:60]([CH2:42][OH:116])[O:152]7)[C@@H:79]([OH:136])[C@@H:69]([CH2:52][O:151][C@H:101]7[C@H:71]([N:112]=[C:54]([CH3:4])[OH:126])[C@@H:81]([OH:138])[C@H:92]([O:162][C@H:108]8[C@H:90]([OH:147])[C@@H:98]([O:169][C@@H:106]9[C@H:86]([OH:143])[C@@H:84]([OH:141])[C@@H:75]([OH:132])[C@@H:61]([CH2:43][OH:117])[O:153]9)[C@@H:78]([OH:135])[C@@H:64]([CH2:46][OH:120])[O:155]8)[C@@H:65]([CH2:47][OH:121])[O:157]7)[O:161]6)[C@@H:67]([CH2:49][OH:123])[O:159]5)[C@@H:76]([OH:133])[C@@H:62]([CH2:44][OH:118])[O:154]4)[C@@H:66]([CH2:48][OH:122])[O:158]3)[C@@H:77]([OH:134])[C@@H:63]([CH2:45][OH:119])[O:156]2)[C@@H:68]([CH2:50][OH:124])[O:160]1)[C@@H:58]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:129])[OH:149])[OH:130] |
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