| Properties | Image |
|---|
| MNX_ID | MNXM523406 |
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| reference | slm:000487192 |
| formula | C72H128N3O31 |
| global charge | -1 |
| mol weight | 1531.806 |
| InChIKey | JSDOQNGBLQRAGU-PZIRAPQQSA-M |
| InChI | InChI=1S/C72H129N3O31/c1-6-7-8-9-10-11-12-13-16-19-22-25-28-31-44(83)43(75-51(86)32-29-26-23-20-17-14-15-18-21-24-27-30-40(2)3)39-97-68-60(93)58(91)62(49(37-79)100-68)102-70-61(94)66(106-72(71(95)96)33-45(84)52(73-41(4)81)65(105-72)54(87)46(85)34-76)63(50(38-80)101-70)103-67-53(74-42(5)82)64(56(89)48(36-78)98-67)104-69-59(92)57(90)55(88)47(35-77)99-69/h28,31,40,43-50,52-70,76-80,83-85,87-94H,6-27,29-30,32-39H2,1-5H3,(H,73,81)(H,74,82)(H,75,86)(H,95,96)/p-1/b31-28+/t43-,44+,45-,46+,47+,48+,49+,50+,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65+,66+,67-,68+,69-,70-,72-/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]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C72H129N3O31/c1-6-7-8-9-10-11-12-13-16-19-22-25-28-31-44(83)43(75-51(86)32-29-26-23-20-17-14-15-18-21-24-27-30-40(2)3)39-97-68-60(93)58(91)62(49(37-79)100-68)102-70-61(94)66(106-72(71(95)96)33-45(84)52(73-41(4)81)65(105-72)54(87)46(85)34-76)63(50(38-80)101-70)103-67-53(74-42(5)82)64(56(89)48(36-78)98-67)104-69-59(92)57(90)55(88)47(35-77)99-69/h28,31,40,43-50,52-70,76-80,83-85,87-94H,6-27,29-30,32-39H2,1-5H3,(H,73,81)(H,74,82)(H,75,86)(H,95,96)/b31-28+/t43-,44+,45-,46+,47+,48+,49+,50+,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65+,66+,67-,68+,69-,70-,72-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25]/[CH:28]=[CH:31]/[C@H:44]([C@H:43]([CH2:39][O:97][C@H:68]1[C@H:60]([OH:93])[C@@H:58]([OH:91])[C@H:62]([O:102][C@H:70]2[C@H:61]([OH:94])[C@@H:66]([O:106][C@:72]3([C:71](=[O:95])[OH:96])[CH2:33][C@H:45]([OH:84])[C@@H:52]([N:73]=[C:41]([CH3:4])[OH:81])[C@H:65]([C@@H:54]([C@@H:46]([CH2:34][OH:76])[OH:85])[OH:87])[O:105]3)[C@@H:63]([O:103][C@H:67]3[C@H:53]([N:74]=[C:42]([CH3:5])[OH:82])[C@@H:64]([O:104][C@H:69]4[C@H:59]([OH:92])[C@@H:57]([OH:90])[C@@H:55]([OH:88])[C@@H:47]([CH2:35][OH:77])[O:99]4)[C@@H:56]([OH:89])[C@@H:48]([CH2:36][OH:78])[O:98]3)[C@@H:50]([CH2:38][OH:80])[O:101]2)[C@@H:49]([CH2:37][OH:79])[O:100]1)[N:75]=[C:51]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:40]([CH3:2])[CH3:3])[OH:86])[OH:83] |
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