| Properties | Image |
|---|
| MNX_ID | MNXM26506 |
 |
| reference | glycosphingo:NBLJRIBVVSVVOB_KYWRKTCLSA_M |
| formula | C103H180N5O52 |
| global charge | -1 |
| mol weight | 2320.556 |
| InChIKey | NBLJRIBVVSVVOB-KYWRKTCLSA-M |
| InChI | InChI=1S/C103H181N5O52/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-65(124)107-53(54(121)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)48-143-97-82(137)80(135)89(63(46-116)151-97)156-99-83(138)91(73(128)58(41-111)146-99)157-95-69(105-51(4)119)77(132)87(61(44-114)149-95)154-100-84(139)92(75(130)64(152-100)49-144-94-68(104-50(3)118)76(131)86(60(43-113)148-94)153-98-81(136)79(134)72(127)57(40-110)145-98)158-96-70(106-52(5)120)78(133)88(62(45-115)150-96)155-101-85(140)93(74(129)59(42-112)147-101)160-103(102(141)142)38-55(122)67(108-66(125)47-117)90(159-103)71(126)56(123)39-109/h34,36,53-64,67-101,109-117,121-123,126-140H,6-33,35,37-49H2,1-5H3,(H,104,118)(H,105,119)(H,106,120)(H,107,124)(H,108,125)(H,141,142)/p-1/b36-34+/t53-,54+,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,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-,103-/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]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)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C103H181N5O52/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-65(124)107-53(54(121)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)48-143-97-82(137)80(135)89(63(46-116)151-97)156-99-83(138)91(73(128)58(41-111)146-99)157-95-69(105-51(4)119)77(132)87(61(44-114)149-95)154-100-84(139)92(75(130)64(152-100)49-144-94-68(104-50(3)118)76(131)86(60(43-113)148-94)153-98-81(136)79(134)72(127)57(40-110)145-98)158-96-70(106-52(5)120)78(133)88(62(45-115)150-96)155-101-85(140)93(74(129)59(42-112)147-101)160-103(102(141)142)38-55(122)67(108-66(125)47-117)90(159-103)71(126)56(123)39-109/h34,36,53-64,67-101,109-117,121-123,126-140H,6-33,35,37-49H2,1-5H3,(H,104,118)(H,105,119)(H,106,120)(H,107,124)(H,108,125)(H,141,142)/b36-34+/t53-,54+,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,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-,103-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:65](=[N:107][C@@H:53]([CH2:48][O:143][C@H:97]1[C@H:82]([OH:137])[C@@H:80]([OH:135])[C@H:89]([O:156][C@H:99]2[C@H:83]([OH:138])[C@@H:91]([O:157][C@H:95]3[C@H:69]([N:105]=[C:51]([CH3:4])[OH:119])[C@@H:77]([OH:132])[C@H:87]([O:154][C@H:100]4[C@H:84]([OH:139])[C@@H:92]([O:158][C@H:96]5[C@H:70]([N:106]=[C:52]([CH3:5])[OH:120])[C@@H:78]([OH:133])[C@H:88]([O:155][C@H:101]6[C@H:85]([OH:140])[C@@H:93]([O:160][C@:103]7([C:102](=[O:141])[OH:142])[CH2:38][C@H:55]([OH:122])[C@@H:67]([N:108]=[C:66]([CH2:47][OH:117])[OH:125])[C@H:90]([C@@H:71]([C@@H:56]([CH2:39][OH:109])[OH:123])[OH:126])[O:159]7)[C@@H:74]([OH:129])[C@@H:59]([CH2:42][OH:112])[O:147]6)[C@@H:62]([CH2:45][OH:115])[O:150]5)[C@@H:75]([OH:130])[C@@H:64]([CH2:49][O:144][C@H:94]5[C@H:68]([N:104]=[C:50]([CH3:3])[OH:118])[C@@H:76]([OH:131])[C@H:86]([O:153][C@H:98]6[C@H:81]([OH:136])[C@@H:79]([OH:134])[C@@H:72]([OH:127])[C@@H:57]([CH2:40][OH:110])[O:145]6)[C@@H:60]([CH2:43][OH:113])[O:148]5)[O:152]4)[C@@H:61]([CH2:44][OH:114])[O:149]3)[C@@H:73]([OH:128])[C@@H:58]([CH2:41][OH:111])[O:146]2)[C@@H:63]([CH2:46][OH:116])[O:151]1)[C@@H:54](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:121])[OH:124] |
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