| Properties | Image |
|---|
| MNX_ID | MNXM25943 |
 |
| reference | glycosphingo:FPBZOJNBMNTHLM_POHSPQPOSA_M |
| formula | C107H186N5O52 |
| global charge | -1 |
| mol weight | 2374.648 |
| InChIKey | FPBZOJNBMNTHLM-POHSPQPOSA-M |
| InChI | InChI=1S/C107H187N5O52/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(128)111-57(58(125)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)52-147-101-86(141)84(139)93(67(50-120)155-101)160-103-87(142)95(77(132)62(45-115)150-103)161-99-73(109-55(4)123)81(136)91(65(48-118)153-99)158-104-88(143)96(79(134)68(156-104)53-148-98-72(108-54(3)122)80(135)90(64(47-117)152-98)157-102-85(140)83(138)76(131)61(44-114)149-102)162-100-74(110-56(5)124)82(137)92(66(49-119)154-100)159-105-89(144)97(78(133)63(46-116)151-105)164-107(106(145)146)42-59(126)71(112-70(129)51-121)94(163-107)75(130)60(127)43-113/h20-21,38,40,57-68,71-105,113-121,125-127,130-144H,6-19,22-37,39,41-53H2,1-5H3,(H,108,122)(H,109,123)(H,110,124)(H,111,128)(H,112,129)(H,145,146)/p-1/b21-20-,40-38+/t57-,58+,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,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-,104-,105-,107-/m0/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](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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C107H187N5O52/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-69(128)111-57(58(125)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)52-147-101-86(141)84(139)93(67(50-120)155-101)160-103-87(142)95(77(132)62(45-115)150-103)161-99-73(109-55(4)123)81(136)91(65(48-118)153-99)158-104-88(143)96(79(134)68(156-104)53-148-98-72(108-54(3)122)80(135)90(64(47-117)152-98)157-102-85(140)83(138)76(131)61(44-114)149-102)162-100-74(110-56(5)124)82(137)92(66(49-119)154-100)159-105-89(144)97(78(133)63(46-116)151-105)164-107(106(145)146)42-59(126)71(112-70(129)51-121)94(163-107)75(130)60(127)43-113/h20-21,38,40,57-68,71-105,113-121,125-127,130-144H,6-19,22-37,39,41-53H2,1-5H3,(H,108,122)(H,109,123)(H,110,124)(H,111,128)(H,112,129)(H,145,146)/b21-20-,40-38+/t57-,58+,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,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-,104-,105-,107-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:69](=[N:111][C@@H:57]([CH2:52][O:147][C@H:101]1[C@H:86]([OH:141])[C@@H:84]([OH:139])[C@H:93]([O:160][C@H:103]2[C@H:87]([OH:142])[C@@H:95]([O:161][C@H:99]3[C@H:73]([N:109]=[C:55]([CH3:4])[OH:123])[C@@H:81]([OH:136])[C@H:91]([O:158][C@H:104]4[C@H:88]([OH:143])[C@@H:96]([O:162][C@H:100]5[C@H:74]([N:110]=[C:56]([CH3:5])[OH:124])[C@@H:82]([OH:137])[C@H:92]([O:159][C@H:105]6[C@H:89]([OH:144])[C@@H:97]([O:164][C@:107]7([C:106](=[O:145])[OH:146])[CH2:42][C@H:59]([OH:126])[C@@H:71]([N:112]=[C:70]([CH2:51][OH:121])[OH:129])[C@H:94]([C@@H:75]([C@@H:60]([CH2:43][OH:113])[OH:127])[OH:130])[O:163]7)[C@@H:78]([OH:133])[C@@H:63]([CH2:46][OH:116])[O:151]6)[C@@H:66]([CH2:49][OH:119])[O:154]5)[C@@H:79]([OH:134])[C@@H:68]([CH2:53][O:148][C@H:98]5[C@H:72]([N:108]=[C:54]([CH3:3])[OH:122])[C@@H:80]([OH:135])[C@H:90]([O:157][C@H:102]6[C@H:85]([OH:140])[C@@H:83]([OH:138])[C@@H:76]([OH:131])[C@@H:61]([CH2:44][OH:114])[O:149]6)[C@@H:64]([CH2:47][OH:117])[O:152]5)[O:156]4)[C@@H:65]([CH2:48][OH:118])[O:153]3)[C@@H:77]([OH:132])[C@@H:62]([CH2:45][OH:115])[O:150]2)[C@@H:67]([CH2:50][OH:120])[O:155]1)[C@@H:58](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:125])[OH:128] |
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