| Properties | Image |
|---|
| MNX_ID | MNXM25967 |
 |
| reference | glycosphingo:RMIFGRCEOKRUEB_XDRRGFNVSA_N |
| formula | C136H236N6O78 |
| global charge | 0 |
| mol weight | 3203.348 |
| InChIKey | RMIFGRCEOKRUEB-XDRRGFNVSA-N |
| InChI | InChI=1S/C136H236N6O78/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-76(162)142-59(60(161)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-191-127-103(184)99(180)115(73(50-155)206-127)214-134-104(185)116(85(166)64(41-146)200-134)215-124-79(139-56(5)158)94(175)113(71(48-153)203-124)212-135-109(190)121(90(171)75(207-135)53-193-123-78(138-55(4)157)92(173)111(69(46-151)202-123)210-132-106(187)118(87(168)66(43-148)198-132)219-129-101(182)97(178)83(164)62(39-144)195-129)217-126-81(141-58(7)160)95(176)114(72(49-154)205-126)213-136-108(189)120(216-125-80(140-57(6)159)93(174)112(70(47-152)204-125)211-133-107(188)119(88(169)67(44-149)199-133)220-130-102(183)98(179)84(165)63(40-145)196-130)89(170)74(208-136)52-192-122-77(137-54(3)156)91(172)110(68(45-150)201-122)209-131-105(186)117(86(167)65(42-147)197-131)218-128-100(181)96(177)82(163)61(38-143)194-128/h34,36,59-75,77-136,143-155,161,163-190H,8-33,35,37-53H2,1-7H3,(H,137,156)(H,138,157)(H,139,158)(H,140,159)(H,141,160)(H,142,162)/b36-34+/t59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,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+,131-,132-,133-,134-,135-,136-/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]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]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/C136H236N6O78/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-76(162)142-59(60(161)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)51-191-127-103(184)99(180)115(73(50-155)206-127)214-134-104(185)116(85(166)64(41-146)200-134)215-124-79(139-56(5)158)94(175)113(71(48-153)203-124)212-135-109(190)121(90(171)75(207-135)53-193-123-78(138-55(4)157)92(173)111(69(46-151)202-123)210-132-106(187)118(87(168)66(43-148)198-132)219-129-101(182)97(178)83(164)62(39-144)195-129)217-126-81(141-58(7)160)95(176)114(72(49-154)205-126)213-136-108(189)120(216-125-80(140-57(6)159)93(174)112(70(47-152)204-125)211-133-107(188)119(88(169)67(44-149)199-133)220-130-102(183)98(179)84(165)63(40-145)196-130)89(170)74(208-136)52-192-122-77(137-54(3)156)91(172)110(68(45-150)201-122)209-131-105(186)117(86(167)65(42-147)197-131)218-128-100(181)96(177)82(163)61(38-143)194-128/h34,36,59-75,77-136,143-155,161,163-190H,8-33,35,37-53H2,1-7H3,(H,137,156)(H,138,157)(H,139,158)(H,140,159)(H,141,160)(H,142,162)/b36-34+/t59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,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+,131-,132-,133-,134-,135-,136-/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:76](=[N:142][C@@H:59]([CH2:51][O:191][C@H:127]1[C@H:103]([OH:184])[C@@H:99]([OH:180])[C@H:115]([O:214][C@H:134]2[C@H:104]([OH:185])[C@@H:116]([O:215][C@H:124]3[C@H:79]([N:139]=[C:56]([CH3:5])[OH:158])[C@@H:94]([OH:175])[C@H:113]([O:212][C@H:135]4[C@H:109]([OH:190])[C@@H:121]([O:217][C@H:126]5[C@H:81]([N:141]=[C:58]([CH3:7])[OH:160])[C@@H:95]([OH:176])[C@H:114]([O:213][C@H:136]6[C@H:108]([OH:189])[C@@H:120]([O:216][C@H:125]7[C@H:80]([N:140]=[C:57]([CH3:6])[OH:159])[C@@H:93]([OH:174])[C@H:112]([O:211][C@H:133]8[C@H:107]([OH:188])[C@@H:119]([O:220][C@@H:130]9[C@H:102]([OH:183])[C@@H:98]([OH:179])[C@@H:84]([OH:165])[C@@H:63]([CH2:40][OH:145])[O:196]9)[C@@H:88]([OH:169])[C@@H:67]([CH2:44][OH:149])[O:199]8)[C@@H:70]([CH2:47][OH:152])[O:204]7)[C@@H:89]([OH:170])[C@@H:74]([CH2:52][O:192][C@H:122]7[C@H:77]([N:137]=[C:54]([CH3:3])[OH:156])[C@@H:91]([OH:172])[C@H:110]([O:209][C@H:131]8[C@H:105]([OH:186])[C@@H:117]([O:218][C@@H:128]9[C@H:100]([OH:181])[C@@H:96]([OH:177])[C@@H:82]([OH:163])[C@@H:61]([CH2:38][OH:143])[O:194]9)[C@@H:86]([OH:167])[C@@H:65]([CH2:42][OH:147])[O:197]8)[C@@H:68]([CH2:45][OH:150])[O:201]7)[O:208]6)[C@@H:72]([CH2:49][OH:154])[O:205]5)[C@@H:90]([OH:171])[C@@H:75]([CH2:53][O:193][C@H:123]5[C@H:78]([N:138]=[C:55]([CH3:4])[OH:157])[C@@H:92]([OH:173])[C@H:111]([O:210][C@H:132]6[C@H:106]([OH:187])[C@@H:118]([O:219][C@@H:129]7[C@H:101]([OH:182])[C@@H:97]([OH:178])[C@@H:83]([OH:164])[C@@H:62]([CH2:39][OH:144])[O:195]7)[C@@H:87]([OH:168])[C@@H:66]([CH2:43][OH:148])[O:198]6)[C@@H:69]([CH2:46][OH:151])[O:202]5)[O:207]4)[C@@H:71]([CH2:48][OH:153])[O:203]3)[C@@H:85]([OH:166])[C@@H:64]([CH2:41][OH:146])[O:200]2)[C@@H:73]([CH2:50][OH:155])[O:206]1)[C@@H:60](/[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:161])[OH:162] |
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