| Properties | Image |
|---|
| MNX_ID | MNXM26812 |
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| reference | glycosphingo:XDMWOOYYHYBVEW_BFUFUPJVSA_M |
| formula | C71H126N3O32 |
| global charge | -1 |
| mol weight | 1533.778 |
| InChIKey | XDMWOOYYHYBVEW-BFUFUPJVSA-M |
| InChI | InChI=1S/C71H127N3O32/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(82)41(73-49(85)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-97-67-58(92)57(91)62(48(37-79)101-67)103-68-59(93)64(54(88)45(34-76)98-68)104-66-52(72-40(3)81)56(90)61(47(36-78)100-66)102-69-60(94)65(55(89)46(35-77)99-69)106-71(70(95)96)32-43(83)51(74-50(86)38-80)63(105-71)53(87)44(84)33-75/h28,30,41-48,51-69,75-80,82-84,87-94H,4-27,29,31-39H2,1-3H3,(H,72,81)(H,73,85)(H,74,86)(H,95,96)/p-1/b30-28+/t41-,42+,43-,44+,45+,46+,47+,48+,51+,52+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67+,68-,69-,71-/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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O5)[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/C71H127N3O32/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(82)41(73-49(85)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-97-67-58(92)57(91)62(48(37-79)101-67)103-68-59(93)64(54(88)45(34-76)98-68)104-66-52(72-40(3)81)56(90)61(47(36-78)100-66)102-69-60(94)65(55(89)46(35-77)99-69)106-71(70(95)96)32-43(83)51(74-50(86)38-80)63(105-71)53(87)44(84)33-75/h28,30,41-48,51-69,75-80,82-84,87-94H,4-27,29,31-39H2,1-3H3,(H,72,81)(H,73,85)(H,74,86)(H,95,96)/b30-28+/t41-,42+,43-,44+,45+,46+,47+,48+,51+,52+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67+,68-,69-,71-/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][CH2:20][CH2:22][CH2:24][CH2:26]/[CH:28]=[CH:30]/[C@H:42]([C@H:41]([CH2:39][O:97][C@H:67]1[C@H:58]([OH:92])[C@@H:57]([OH:91])[C@H:62]([O:103][C@H:68]2[C@H:59]([OH:93])[C@@H:64]([O:104][C@H:66]3[C@H:52]([N:72]=[C:40]([CH3:3])[OH:81])[C@@H:56]([OH:90])[C@H:61]([O:102][C@H:69]4[C@H:60]([OH:94])[C@@H:65]([O:106][C@:71]5([C:70](=[O:95])[OH:96])[CH2:32][C@H:43]([OH:83])[C@@H:51]([N:74]=[C:50]([CH2:38][OH:80])[OH:86])[C@H:63]([C@@H:53]([C@@H:44]([CH2:33][OH:75])[OH:84])[OH:87])[O:105]5)[C@@H:55]([OH:89])[C@@H:46]([CH2:35][OH:77])[O:99]4)[C@@H:47]([CH2:36][OH:78])[O:100]3)[C@@H:54]([OH:88])[C@@H:45]([CH2:34][OH:76])[O:98]2)[C@@H:48]([CH2:37][OH:79])[O:101]1)[N:73]=[C:49]([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][CH2:5][CH3:2])[OH:85])[OH:82] |
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