| Properties | Image |
|---|
| MNX_ID | MNXM25335 |
 |
| reference | glycosphingo:FRBFEBSIOBGGQC_MZBTXLNHSA_N |
| formula | C98H173N5O48 |
| global charge | 0 |
| mol weight | 2189.449 |
| InChIKey | FRBFEBSIOBGGQC-MZBTXLNHSA-N |
| InChI | InChI=1S/C98H173N5O48/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(117)103-51(52(116)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)45-134-94-79(130)77(128)86(60(44-111)143-94)148-97-81(132)88(70(121)56(40-107)139-97)150-92-65(101-49(5)114)75(126)85(59(43-110)141-92)147-98-82(133)89(71(122)61(144-98)46-135-90-64(100-48(4)113)73(124)83(57(41-108)140-90)145-95-78(129)76(127)68(119)54(38-105)137-95)151-93-66(102-50(6)115)74(125)84(58(42-109)142-93)146-96-80(131)87(69(120)55(39-106)138-96)149-91-63(99-47(3)112)72(123)67(118)53(37-104)136-91/h33,35,51-61,63-98,104-111,116,118-133H,7-32,34,36-46H2,1-6H3,(H,99,112)(H,100,113)(H,101,114)(H,102,115)(H,103,117)/b35-33+/t51-,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-,98-/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@H]7O[C@H](CO)[C@H](O)[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/C98H173N5O48/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(117)103-51(52(116)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)45-134-94-79(130)77(128)86(60(44-111)143-94)148-97-81(132)88(70(121)56(40-107)139-97)150-92-65(101-49(5)114)75(126)85(59(43-110)141-92)147-98-82(133)89(71(122)61(144-98)46-135-90-64(100-48(4)113)73(124)83(57(41-108)140-90)145-95-78(129)76(127)68(119)54(38-105)137-95)151-93-66(102-50(6)115)74(125)84(58(42-109)142-93)146-96-80(131)87(69(120)55(39-106)138-96)149-91-63(99-47(3)112)72(123)67(118)53(37-104)136-91/h33,35,51-61,63-98,104-111,116,118-133H,7-32,34,36-46H2,1-6H3,(H,99,112)(H,100,113)(H,101,114)(H,102,115)(H,103,117)/b35-33+/t51-,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-,98-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:62](=[N:103][C@@H:51]([CH2:45][O:134][C@H:94]1[C@H:79]([OH:130])[C@@H:77]([OH:128])[C@H:86]([O:148][C@H:97]2[C@H:81]([OH:132])[C@@H:88]([O:150][C@H:92]3[C@H:65]([N:101]=[C:49]([CH3:5])[OH:114])[C@@H:75]([OH:126])[C@H:85]([O:147][C@H:98]4[C@H:82]([OH:133])[C@@H:89]([O:151][C@H:93]5[C@H:66]([N:102]=[C:50]([CH3:6])[OH:115])[C@@H:74]([OH:125])[C@H:84]([O:146][C@H:96]6[C@H:80]([OH:131])[C@@H:87]([O:149][C@@H:91]7[C@H:63]([N:99]=[C:47]([CH3:3])[OH:112])[C@@H:72]([OH:123])[C@@H:67]([OH:118])[C@@H:53]([CH2:37][OH:104])[O:136]7)[C@@H:69]([OH:120])[C@@H:55]([CH2:39][OH:106])[O:138]6)[C@@H:58]([CH2:42][OH:109])[O:142]5)[C@@H:71]([OH:122])[C@@H:61]([CH2:46][O:135][C@H:90]5[C@H:64]([N:100]=[C:48]([CH3:4])[OH:113])[C@@H:73]([OH:124])[C@H:83]([O:145][C@H:95]6[C@H:78]([OH:129])[C@@H:76]([OH:127])[C@@H:68]([OH:119])[C@@H:54]([CH2:38][OH:105])[O:137]6)[C@@H:57]([CH2:41][OH:108])[O:140]5)[O:144]4)[C@@H:59]([CH2:43][OH:110])[O:141]3)[C@@H:70]([OH:121])[C@@H:56]([CH2:40][OH:107])[O:139]2)[C@@H:60]([CH2:44][OH:111])[O:143]1)[C@@H:52](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:116])[OH:117] |
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