| Properties | Image |
|---|
| MNX_ID | MNXM1065163 |
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| reference | slm:000757827 |
| formula | C68H120N3O31S |
| global charge | -1 |
| mol weight | 1507.765 |
| InChIKey | ZGYDLDVSGPFBAE-IHYBJGQXSA-M |
| InChI | InChI=1S/C68H121N3O31S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42(79)41(71-48(80)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-92-66-56(86)55(85)59(47(37-76)97-66)98-67-58(88)63(54(84)46(36-75)95-67)101-68-57(87)62(53(83)45(35-74)96-68)100-64-49(69-39(3)77)60(51(81)43(33-72)93-64)99-65-50(70-40(4)78)61(102-103(89,90)91)52(82)44(34-73)94-65/h22,24,29,31,41-47,49-68,72-76,79,81-88H,5-21,23,25-28,30,32-38H2,1-4H3,(H,69,77)(H,70,78)(H,71,80)(H,89,90,91)/p-1/b24-22-,31-29+/t41-,42+,43+,44+,45+,46+,47+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+,67-,68+/m0/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCC(=O)N[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@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H121N3O31S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42(79)41(71-48(80)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-92-66-56(86)55(85)59(47(37-76)97-66)98-67-58(88)63(54(84)46(36-75)95-67)101-68-57(87)62(53(83)45(35-74)96-68)100-64-49(69-39(3)77)60(51(81)43(33-72)93-64)99-65-50(70-40(4)78)61(102-103(89,90)91)52(82)44(34-73)94-65/h22,24,29,31,41-47,49-68,72-76,79,81-88H,5-21,23,25-28,30,32-38H2,1-4H3,(H,69,77)(H,70,78)(H,71,80)(H,89,90,91)/b24-22-,31-29+/t41-,42+,43+,44+,45+,46+,47+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62-,63-,64-,65+,66+,67-,68+/m0/s1 |
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| 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:42]([C@H:41]([CH2:38][O:92][C@H:66]1[C@H:56]([OH:86])[C@@H:55]([OH:85])[C@H:59]([O:98][C@H:67]2[C@H:58]([OH:88])[C@@H:63]([O:101][C@@H:68]3[C@H:57]([OH:87])[C@@H:62]([O:100][C@H:64]4[C@H:49]([N:69]=[C:39]([CH3:3])[OH:77])[C@@H:60]([O:99][C@@H:65]5[C@H:50]([N:70]=[C:40]([CH3:4])[OH:78])[C@@H:61]([O:102][S:103]([OH:89])(=[O:90])=[O:91])[C@@H:52]([OH:82])[C@@H:44]([CH2:34][OH:73])[O:94]5)[C@@H:51]([OH:81])[C@@H:43]([CH2:33][OH:72])[O:93]4)[C@@H:53]([OH:83])[C@@H:45]([CH2:35][OH:74])[O:96]3)[C@@H:54]([OH:84])[C@@H:46]([CH2:36][OH:75])[O:95]2)[C@@H:47]([CH2:37][OH:76])[O:97]1)[N:71]=[C:48]([CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:80])[OH:79] |
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