| Properties | Image |
|---|
| MNX_ID | MNXM29125 |
 |
| reference | glycosphingo:FMVCRGXTFKGFPP_ULIBSUDWSA_N |
| formula | C108H189N5O58 |
| global charge | 0 |
| mol weight | 2485.677 |
| InChIKey | FMVCRGXTFKGFPP-ULIBSUDWSA-N |
| InChI | InChI=1S/C108H189N5O58/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(128)51(113-64(129)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-150-102-84(145)81(142)93(62(44-123)161-102)167-107-86(147)95(72(133)56(38-117)156-107)169-99-66(110-48(4)125)76(137)90(59(41-120)158-99)164-105-85(146)94(71(132)55(37-116)154-105)168-100-67(111-49(5)126)78(139)92(61(43-122)159-100)166-108-88(149)97(74(135)63(162-108)46-151-98-65(109-47(3)124)75(136)89(58(40-119)157-98)163-103-82(143)79(140)69(130)53(35-114)152-103)170-101-68(112-50(6)127)77(138)91(60(42-121)160-101)165-106-87(148)96(73(134)57(39-118)155-106)171-104-83(144)80(141)70(131)54(36-115)153-104/h31,33,51-63,65-108,114-123,128,130-149H,7-30,32,34-46H2,1-6H3,(H,109,124)(H,110,125)(H,111,126)(H,112,127)(H,113,129)/b33-31+/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,100-,101-,102+,103-,104+,105-,106-,107-,108-/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](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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C108H189N5O58/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(128)51(113-64(129)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-150-102-84(145)81(142)93(62(44-123)161-102)167-107-86(147)95(72(133)56(38-117)156-107)169-99-66(110-48(4)125)76(137)90(59(41-120)158-99)164-105-85(146)94(71(132)55(37-116)154-105)168-100-67(111-49(5)126)78(139)92(61(43-122)159-100)166-108-88(149)97(74(135)63(162-108)46-151-98-65(109-47(3)124)75(136)89(58(40-119)157-98)163-103-82(143)79(140)69(130)53(35-114)152-103)170-101-68(112-50(6)127)77(138)91(60(42-121)160-101)165-106-87(148)96(73(134)57(39-118)155-106)171-104-83(144)80(141)70(131)54(36-115)153-104/h31,33,51-63,65-108,114-123,128,130-149H,7-30,32,34-46H2,1-6H3,(H,109,124)(H,110,125)(H,111,126)(H,112,127)(H,113,129)/b33-31+/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,100-,101-,102+,103-,104+,105-,106-,107-,108-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29]/[CH:31]=[CH:33]/[C@H:52]([C@H:51]([CH2:45][O:150][C@H:102]1[C@H:84]([OH:145])[C@@H:81]([OH:142])[C@H:93]([O:167][C@H:107]2[C@H:86]([OH:147])[C@@H:95]([O:169][C@H:99]3[C@H:66]([N:110]=[C:48]([CH3:4])[OH:125])[C@@H:76]([OH:137])[C@H:90]([O:164][C@H:105]4[C@H:85]([OH:146])[C@@H:94]([O:168][C@H:100]5[C@H:67]([N:111]=[C:49]([CH3:5])[OH:126])[C@@H:78]([OH:139])[C@H:92]([O:166][C@H:108]6[C@H:88]([OH:149])[C@@H:97]([O:170][C@H:101]7[C@H:68]([N:112]=[C:50]([CH3:6])[OH:127])[C@@H:77]([OH:138])[C@H:91]([O:165][C@H:106]8[C@H:87]([OH:148])[C@@H:96]([O:171][C@@H:104]9[C@H:83]([OH:144])[C@@H:80]([OH:141])[C@@H:70]([OH:131])[C@@H:54]([CH2:36][OH:115])[O:153]9)[C@@H:73]([OH:134])[C@@H:57]([CH2:39][OH:118])[O:155]8)[C@@H:60]([CH2:42][OH:121])[O:160]7)[C@@H:74]([OH:135])[C@@H:63]([CH2:46][O:151][C@H:98]7[C@H:65]([N:109]=[C:47]([CH3:3])[OH:124])[C@@H:75]([OH:136])[C@H:89]([O:163][C@H:103]8[C@H:82]([OH:143])[C@@H:79]([OH:140])[C@@H:69]([OH:130])[C@@H:53]([CH2:35][OH:114])[O:152]8)[C@@H:58]([CH2:40][OH:119])[O:157]7)[O:162]6)[C@@H:61]([CH2:43][OH:122])[O:159]5)[C@@H:71]([OH:132])[C@@H:55]([CH2:37][OH:116])[O:154]4)[C@@H:59]([CH2:41][OH:120])[O:158]3)[C@@H:72]([OH:133])[C@@H:56]([CH2:38][OH:117])[O:156]2)[C@@H:62]([CH2:44][OH:123])[O:161]1)[N:113]=[C:64]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:129])[OH:128] |
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