| Properties | Image |
|---|
| MNX_ID | MNXM23502 |
 |
| reference | glycosphingo:LRNDBWMNHMNZTE_VEHKUVGKSA_N |
| formula | C130H226N6O73 |
| global charge | 0 |
| mol weight | 3041.207 |
| InChIKey | LRNDBWMNHMNZTE-VEHKUVGKSA-N |
| InChI | InChI=1S/C130H226N6O73/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-74(155)136-58(59(154)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)50-182-122-100(176)96(172)111(71(49-148)196-122)204-128-101(177)112(83(159)63(41-140)190-128)205-119-77(133-55(5)151)91(167)109(69(47-146)193-119)202-129-105(181)116(87(163)73(198-129)52-184-118-76(132-54(4)150)89(165)107(67(45-144)192-118)200-126-102(178)113(84(160)64(42-141)188-126)208-124-98(174)94(170)81(157)61(39-138)186-124)207-121-79(135-57(7)153)92(168)110(70(48-147)195-121)203-130-104(180)115(86(162)72(197-130)51-183-117-75(131-53(3)149)88(164)106(66(44-143)191-117)199-123-97(173)93(169)80(156)60(38-137)185-123)206-120-78(134-56(6)152)90(166)108(68(46-145)194-120)201-127-103(179)114(85(161)65(43-142)189-127)209-125-99(175)95(171)82(158)62(40-139)187-125/h34,36,58-73,75-130,137-148,154,156-181H,8-33,35,37-52H2,1-7H3,(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,155)/b36-34+/t58-,59+,60+,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+,118+,119-,120-,121-,122+,123-,124+,125+,126-,127-,128-,129-,130-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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](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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[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]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]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)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C130H226N6O73/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-74(155)136-58(59(154)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)50-182-122-100(176)96(172)111(71(49-148)196-122)204-128-101(177)112(83(159)63(41-140)190-128)205-119-77(133-55(5)151)91(167)109(69(47-146)193-119)202-129-105(181)116(87(163)73(198-129)52-184-118-76(132-54(4)150)89(165)107(67(45-144)192-118)200-126-102(178)113(84(160)64(42-141)188-126)208-124-98(174)94(170)81(157)61(39-138)186-124)207-121-79(135-57(7)153)92(168)110(70(48-147)195-121)203-130-104(180)115(86(162)72(197-130)51-183-117-75(131-53(3)149)88(164)106(66(44-143)191-117)199-123-97(173)93(169)80(156)60(38-137)185-123)206-120-78(134-56(6)152)90(166)108(68(46-145)194-120)201-127-103(179)114(85(161)65(43-142)189-127)209-125-99(175)95(171)82(158)62(40-139)187-125/h34,36,58-73,75-130,137-148,154,156-181H,8-33,35,37-52H2,1-7H3,(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,155)/b36-34+/t58-,59+,60+,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+,118+,119-,120-,121-,122+,123-,124+,125+,126-,127-,128-,129-,130-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:74](=[N:136][C@@H:58]([CH2:50][O:182][C@H:122]1[C@H:100]([OH:176])[C@@H:96]([OH:172])[C@H:111]([O:204][C@H:128]2[C@H:101]([OH:177])[C@@H:112]([O:205][C@H:119]3[C@H:77]([N:133]=[C:55]([CH3:5])[OH:151])[C@@H:91]([OH:167])[C@H:109]([O:202][C@H:129]4[C@H:105]([OH:181])[C@@H:116]([O:207][C@H:121]5[C@H:79]([N:135]=[C:57]([CH3:7])[OH:153])[C@@H:92]([OH:168])[C@H:110]([O:203][C@H:130]6[C@H:104]([OH:180])[C@@H:115]([O:206][C@H:120]7[C@H:78]([N:134]=[C:56]([CH3:6])[OH:152])[C@@H:90]([OH:166])[C@H:108]([O:201][C@H:127]8[C@H:103]([OH:179])[C@@H:114]([O:209][C@@H:125]9[C@H:99]([OH:175])[C@@H:95]([OH:171])[C@@H:82]([OH:158])[C@@H:62]([CH2:40][OH:139])[O:187]9)[C@@H:85]([OH:161])[C@@H:65]([CH2:43][OH:142])[O:189]8)[C@@H:68]([CH2:46][OH:145])[O:194]7)[C@@H:86]([OH:162])[C@@H:72]([CH2:51][O:183][C@H:117]7[C@H:75]([N:131]=[C:53]([CH3:3])[OH:149])[C@@H:88]([OH:164])[C@H:106]([O:199][C@H:123]8[C@H:97]([OH:173])[C@@H:93]([OH:169])[C@@H:80]([OH:156])[C@@H:60]([CH2:38][OH:137])[O:185]8)[C@@H:66]([CH2:44][OH:143])[O:191]7)[O:197]6)[C@@H:70]([CH2:48][OH:147])[O:195]5)[C@@H:87]([OH:163])[C@@H:73]([CH2:52][O:184][C@H:118]5[C@H:76]([N:132]=[C:54]([CH3:4])[OH:150])[C@@H:89]([OH:165])[C@H:107]([O:200][C@H:126]6[C@H:102]([OH:178])[C@@H:113]([O:208][C@@H:124]7[C@H:98]([OH:174])[C@@H:94]([OH:170])[C@@H:81]([OH:157])[C@@H:61]([CH2:39][OH:138])[O:186]7)[C@@H:84]([OH:160])[C@@H:64]([CH2:42][OH:141])[O:188]6)[C@@H:67]([CH2:45][OH:144])[O:192]5)[O:198]4)[C@@H:69]([CH2:47][OH:146])[O:193]3)[C@@H:83]([OH:159])[C@@H:63]([CH2:41][OH:140])[O:190]2)[C@@H:71]([CH2:49][OH:148])[O:196]1)[C@@H:59](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:154])[OH:155] |
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