| Properties | Image |
|---|
| MNX_ID | MNXM27835 |
 |
| reference | glycosphingo:ILQGXHMPZZFSQN_WVMWCWIWSA_M |
| formula | C99H172N5O51 |
| global charge | -1 |
| mol weight | 2248.449 |
| InChIKey | ILQGXHMPZZFSQN-WVMWCWIWSA-M |
| InChI | InChI=1S/C99H173N5O51/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(118)50(104-62(121)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-138-93-76(131)75(130)84(61(44-113)146-93)150-96-79(134)88(70(125)56(39-108)141-96)153-91-65(102-48(5)116)73(128)82(59(42-111)144-91)148-94-77(132)86(68(123)54(37-106)139-94)151-90-64(101-47(4)115)72(127)81(58(41-110)143-90)147-95-78(133)87(69(124)55(38-107)140-95)152-92-66(103-49(6)117)74(129)83(60(43-112)145-92)149-97-80(135)89(71(126)57(40-109)142-97)155-99(98(136)137)35-52(119)63(100-46(3)114)85(154-99)67(122)53(120)36-105/h31,33,50-61,63-97,105-113,118-120,122-135H,7-30,32,34-45H2,1-6H3,(H,100,114)(H,101,115)(H,102,116)(H,103,117)(H,104,121)(H,136,137)/p-1/b33-31+/t50-,51+,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,63+,64+,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-,99-/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](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@]9(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O9)[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/C99H173N5O51/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(118)50(104-62(121)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-138-93-76(131)75(130)84(61(44-113)146-93)150-96-79(134)88(70(125)56(39-108)141-96)153-91-65(102-48(5)116)73(128)82(59(42-111)144-91)148-94-77(132)86(68(123)54(37-106)139-94)151-90-64(101-47(4)115)72(127)81(58(41-110)143-90)147-95-78(133)87(69(124)55(38-107)140-95)152-92-66(103-49(6)117)74(129)83(60(43-112)145-92)149-97-80(135)89(71(126)57(40-109)142-97)155-99(98(136)137)35-52(119)63(100-46(3)114)85(154-99)67(122)53(120)36-105/h31,33,50-61,63-97,105-113,118-120,122-135H,7-30,32,34-45H2,1-6H3,(H,100,114)(H,101,115)(H,102,116)(H,103,117)(H,104,121)(H,136,137)/b33-31+/t50-,51+,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,63+,64+,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-,99-/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:51]([C@H:50]([CH2:45][O:138][C@H:93]1[C@H:76]([OH:131])[C@@H:75]([OH:130])[C@H:84]([O:150][C@H:96]2[C@H:79]([OH:134])[C@@H:88]([O:153][C@H:91]3[C@H:65]([N:102]=[C:48]([CH3:5])[OH:116])[C@@H:73]([OH:128])[C@H:82]([O:148][C@H:94]4[C@H:77]([OH:132])[C@@H:86]([O:151][C@H:90]5[C@H:64]([N:101]=[C:47]([CH3:4])[OH:115])[C@@H:72]([OH:127])[C@H:81]([O:147][C@H:95]6[C@H:78]([OH:133])[C@@H:87]([O:152][C@H:92]7[C@H:66]([N:103]=[C:49]([CH3:6])[OH:117])[C@@H:74]([OH:129])[C@H:83]([O:149][C@H:97]8[C@H:80]([OH:135])[C@@H:89]([O:155][C@:99]9([C:98](=[O:136])[OH:137])[CH2:35][C@H:52]([OH:119])[C@@H:63]([N:100]=[C:46]([CH3:3])[OH:114])[C@H:85]([C@@H:67]([C@@H:53]([CH2:36][OH:105])[OH:120])[OH:122])[O:154]9)[C@@H:71]([OH:126])[C@@H:57]([CH2:40][OH:109])[O:142]8)[C@@H:60]([CH2:43][OH:112])[O:145]7)[C@@H:69]([OH:124])[C@@H:55]([CH2:38][OH:107])[O:140]6)[C@@H:58]([CH2:41][OH:110])[O:143]5)[C@@H:68]([OH:123])[C@@H:54]([CH2:37][OH:106])[O:139]4)[C@@H:59]([CH2:42][OH:111])[O:144]3)[C@@H:70]([OH:125])[C@@H:56]([CH2:39][OH:108])[O:141]2)[C@@H:61]([CH2:44][OH:113])[O:146]1)[N:104]=[C:62]([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:121])[OH:118] |
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