| Properties | Image |
|---|
| MNX_ID | MNXM29622 |
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| reference | glycosphingo:ZQZHUIUEGACDJT_ZJFNGNNXSA_N |
| formula | C73H132N2O31 |
| global charge | 0 |
| mol weight | 1533.842 |
| InChIKey | ZQZHUIUEGACDJT-ZJFNGNNXSA-N |
| InChI | InChI=1S/C73H132N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-52(84)75-44(45(81)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-97-69-62(93)60(91)64(50(40-79)101-69)103-71-63(94)66(58(89)49(39-78)100-71)105-68-53(74-43(3)80)65(57(88)48(38-77)99-68)104-70-61(92)59(90)56(87)51(102-70)42-98-73(72(95)96)36-46(82)54(85)67(106-73)55(86)47(83)37-76/h32,34,44-51,53-71,76-79,81-83,85-94H,4-31,33,35-42H2,1-3H3,(H,74,80)(H,75,84)(H,95,96)/b34-32+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-,73+/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](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C73H132N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-52(84)75-44(45(81)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-97-69-62(93)60(91)64(50(40-79)101-69)103-71-63(94)66(58(89)49(39-78)100-71)105-68-53(74-43(3)80)65(57(88)48(38-77)99-68)104-70-61(92)59(90)56(87)51(102-70)42-98-73(72(95)96)36-46(82)54(85)67(106-73)55(86)47(83)37-76/h32,34,44-51,53-71,76-79,81-83,85-94H,4-31,33,35-42H2,1-3H3,(H,74,80)(H,75,84)(H,95,96)/b34-32+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-,73+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:52](=[N:75][C@@H:44]([CH2:41][O:97][C@H:69]1[C@H:62]([OH:93])[C@@H:60]([OH:91])[C@H:64]([O:103][C@H:71]2[C@H:63]([OH:94])[C@@H:66]([O:105][C@H:68]3[C@H:53]([N:74]=[C:43]([CH3:3])[OH:80])[C@@H:65]([O:104][C@H:70]4[C@H:61]([OH:92])[C@@H:59]([OH:90])[C@@H:56]([OH:87])[C@@H:51]([CH2:42][O:98][C@:73]5([C:72](=[O:95])[OH:96])[CH2:36][C@H:46]([OH:82])[C@@H:54]([OH:85])[C@H:67]([C@@H:55]([C@@H:47]([CH2:37][OH:76])[OH:83])[OH:86])[O:106]5)[O:102]4)[C@H:57]([OH:88])[C@@H:48]([CH2:38][OH:77])[O:99]3)[C@@H:58]([OH:89])[C@@H:49]([CH2:39][OH:78])[O:100]2)[C@@H:50]([CH2:40][OH:79])[O:101]1)[C@@H:45](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:81])[OH:84] |
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