| Properties | Image |
|---|
| MNX_ID | MNXM29913 |
 |
| reference | glycosphingo:ZGYGBQQQXBOBNJ_XODNBIRFSA_M |
| formula | C85H149N4O41 |
| global charge | -1 |
| mol weight | 1883.114 |
| InChIKey | ZGYGBQQQXBOBNJ-XODNBIRFSA-M |
| InChI | InChI=1S/C85H150N4O41/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(98)46(89-56(101)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)40-117-80-71(113)68(110)75(53(39-94)123-80)128-83-72(114)77(63(105)54(124-83)41-118-78-58(87-44(4)96)64(106)73(51(37-92)121-78)126-81-69(111)66(108)61(103)50(36-91)120-81)129-79-59(88-45(5)97)65(107)74(52(38-93)122-79)127-82-70(112)67(109)62(104)55(125-82)42-119-85(84(115)116)34-48(99)57(86-43(3)95)76(130-85)60(102)49(100)35-90/h30,32,46-55,57-83,90-94,98-100,102-114H,6-29,31,33-42H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,101)(H,115,116)/p-1/b32-30+/t46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](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/C85H150N4O41/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(98)46(89-56(101)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)40-117-80-71(113)68(110)75(53(39-94)123-80)128-83-72(114)77(63(105)54(124-83)41-118-78-58(87-44(4)96)64(106)73(51(37-92)121-78)126-81-69(111)66(108)61(103)50(36-91)120-81)129-79-59(88-45(5)97)65(107)74(52(38-93)122-79)127-82-70(112)67(109)62(104)55(125-82)42-119-85(84(115)116)34-48(99)57(86-43(3)95)76(130-85)60(102)49(100)35-90/h30,32,46-55,57-83,90-94,98-100,102-114H,6-29,31,33-42H2,1-5H3,(H,86,95)(H,87,96)(H,88,97)(H,89,101)(H,115,116)/b32-30+/t46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,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 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:32]/[C@H:47]([C@H:46]([CH2:40][O:117][C@H:80]1[C@H:71]([OH:113])[C@@H:68]([OH:110])[C@H:75]([O:128][C@H:83]2[C@H:72]([OH:114])[C@@H:77]([O:129][C@H:79]3[C@H:59]([N:88]=[C:45]([CH3:5])[OH:97])[C@@H:65]([OH:107])[C@H:74]([O:127][C@H:82]4[C@H:70]([OH:112])[C@@H:67]([OH:109])[C@@H:62]([OH:104])[C@@H:55]([CH2:42][O:119][C@:85]5([C:84](=[O:115])[OH:116])[CH2:34][C@H:48]([OH:99])[C@@H:57]([N:86]=[C:43]([CH3:3])[OH:95])[C@H:76]([C@@H:60]([C@@H:49]([CH2:35][OH:90])[OH:100])[OH:102])[O:130]5)[O:125]4)[C@@H:52]([CH2:38][OH:93])[O:122]3)[C@@H:63]([OH:105])[C@@H:54]([CH2:41][O:118][C@H:78]3[C@H:58]([N:87]=[C:44]([CH3:4])[OH:96])[C@@H:64]([OH:106])[C@H:73]([O:126][C@H:81]4[C@H:69]([OH:111])[C@@H:66]([OH:108])[C@@H:61]([OH:103])[C@@H:50]([CH2:36][OH:91])[O:120]4)[C@@H:51]([CH2:37][OH:92])[O:121]3)[O:124]2)[C@@H:53]([CH2:39][OH:94])[O:123]1)[N:89]=[C:56]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:101])[OH:98] |
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