| Properties | Image |
|---|
| MNX_ID | MNXM522917 |
 |
| reference | slm:000487727 |
| formula | C75H130N4O34 |
| global charge | -2 |
| mol weight | 1631.859 |
| InChIKey | SQXBGEJHKSSWHX-AWYNPDGESA-L |
| InChI | InChI=1S/C75H132N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-45(88)44(79-53(92)32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-104-70-62(98)61(97)64(51(38-83)106-70)108-71-63(99)68(65(52(39-84)107-71)109-69-56(78-43(5)87)60(96)58(94)49(36-81)105-69)113-75(73(102)103)34-47(90)55(77-42(4)86)67(112-75)59(95)50(37-82)110-74(72(100)101)33-46(89)54(76-41(3)85)66(111-74)57(93)48(91)35-80/h29,31,44-52,54-71,80-84,88-91,93-99H,6-28,30,32-40H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,92)(H,100,101)(H,102,103)/p-2/b31-29+/t44-,45+,46-,47-,48+,49+,50+,51+,52+,54+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64+,65-,66+,67+,68+,69-,70+,71-,74+,75-/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]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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H132N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-45(88)44(79-53(92)32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-104-70-62(98)61(97)64(51(38-83)106-70)108-71-63(99)68(65(52(39-84)107-71)109-69-56(78-43(5)87)60(96)58(94)49(36-81)105-69)113-75(73(102)103)34-47(90)55(77-42(4)86)67(112-75)59(95)50(37-82)110-74(72(100)101)33-46(89)54(76-41(3)85)66(111-74)57(93)48(91)35-80/h29,31,44-52,54-71,80-84,88-91,93-99H,6-28,30,32-40H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,92)(H,100,101)(H,102,103)/b31-29+/t44-,45+,46-,47-,48+,49+,50+,51+,52+,54+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64+,65-,66+,67+,68+,69-,70+,71-,74+,75-/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][CH2:21][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:45]([C@H:44]([CH2:40][O:104][C@H:70]1[C@H:62]([OH:98])[C@@H:61]([OH:97])[C@H:64]([O:108][C@H:71]2[C@H:63]([OH:99])[C@@H:68]([O:113][C@:75]3([C:73](=[O:102])[OH:103])[CH2:34][C@H:47]([OH:90])[C@@H:55]([N:77]=[C:42]([CH3:4])[OH:86])[C@H:67]([C@@H:59]([C@@H:50]([CH2:37][OH:82])[O:110][C@:74]4([C:72](=[O:100])[OH:101])[CH2:33][C@H:46]([OH:89])[C@@H:54]([N:76]=[C:41]([CH3:3])[OH:85])[C@H:66]([C@@H:57]([C@@H:48]([CH2:35][OH:80])[OH:91])[OH:93])[O:111]4)[OH:95])[O:112]3)[C@@H:65]([O:109][C@H:69]3[C@H:56]([N:78]=[C:43]([CH3:5])[OH:87])[C@@H:60]([OH:96])[C@@H:58]([OH:94])[C@@H:49]([CH2:36][OH:81])[O:105]3)[C@@H:52]([CH2:39][OH:84])[O:107]2)[C@@H:51]([CH2:38][OH:83])[O:106]1)[N:79]=[C:53]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:92])[OH:88] |
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