| Properties | Image |
|---|
| MNX_ID | MNXM24037 |
 |
| reference | glycosphingo:DIPBCXLGMHBNNL_HFMQJIJYSA_M |
| formula | C85H149N4O42 |
| global charge | -1 |
| mol weight | 1899.113 |
| InChIKey | DIPBCXLGMHBNNL-HFMQJIJYSA-M |
| InChI | InChI=1S/C85H150N4O42/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-46(100)45(88-55(103)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)42-118-80-67(112)65(110)73(53(39-95)123-80)127-81-68(113)66(111)72(54(40-96)124-81)125-79-59(87-44(4)99)74(61(106)49(35-91)119-79)128-82-69(114)76(62(107)50(36-92)120-82)129-78-58(86-43(3)98)64(109)71(52(38-94)122-78)126-83-70(115)77(63(108)51(37-93)121-83)131-85(84(116)117)33-47(101)57(89-56(104)41-97)75(130-85)60(105)48(102)34-90/h29,31,45-54,57-83,90-97,100-102,105-115H,5-28,30,32-42H2,1-4H3,(H,86,98)(H,87,99)(H,88,103)(H,89,104)(H,116,117)/p-1/b31-29+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,57+,58+,59+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72-,73+,74+,75+,76-,77-,78-,79-,80+,81-,82-,83-,85-/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]3O[C@H](CO)[C@H](O)[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@]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]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H150N4O42/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-46(100)45(88-55(103)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)42-118-80-67(112)65(110)73(53(39-95)123-80)127-81-68(113)66(111)72(54(40-96)124-81)125-79-59(87-44(4)99)74(61(106)49(35-91)119-79)128-82-69(114)76(62(107)50(36-92)120-82)129-78-58(86-43(3)98)64(109)71(52(38-94)122-78)126-83-70(115)77(63(108)51(37-93)121-83)131-85(84(116)117)33-47(101)57(89-56(104)41-97)75(130-85)60(105)48(102)34-90/h29,31,45-54,57-83,90-97,100-102,105-115H,5-28,30,32-42H2,1-4H3,(H,86,98)(H,87,99)(H,88,103)(H,89,104)(H,116,117)/b31-29+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,57+,58+,59+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72-,73+,74+,75+,76-,77-,78-,79-,80+,81-,82-,83-,85-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:46]([C@H:45]([CH2:42][O:118][C@H:80]1[C@H:67]([OH:112])[C@@H:65]([OH:110])[C@H:73]([O:127][C@H:81]2[C@H:68]([OH:113])[C@@H:66]([OH:111])[C@@H:72]([O:125][C@H:79]3[C@H:59]([N:87]=[C:44]([CH3:4])[OH:99])[C@@H:74]([O:128][C@H:82]4[C@H:69]([OH:114])[C@@H:76]([O:129][C@H:78]5[C@H:58]([N:86]=[C:43]([CH3:3])[OH:98])[C@@H:64]([OH:109])[C@H:71]([O:126][C@H:83]6[C@H:70]([OH:115])[C@@H:77]([O:131][C@:85]7([C:84](=[O:116])[OH:117])[CH2:33][C@H:47]([OH:101])[C@@H:57]([N:89]=[C:56]([CH2:41][OH:97])[OH:104])[C@H:75]([C@@H:60]([C@@H:48]([CH2:34][OH:90])[OH:102])[OH:105])[O:130]7)[C@@H:63]([OH:108])[C@@H:51]([CH2:37][OH:93])[O:121]6)[C@@H:52]([CH2:38][OH:94])[O:122]5)[C@@H:62]([OH:107])[C@@H:50]([CH2:36][OH:92])[O:120]4)[C@@H:61]([OH:106])[C@@H:49]([CH2:35][OH:91])[O:119]3)[C@@H:54]([CH2:40][OH:96])[O:124]2)[C@@H:53]([CH2:39][OH:95])[O:123]1)[N:88]=[C:55]([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][CH2:6][CH3:2])[OH:103])[OH:100] |
|