| Properties | Image |
|---|
| MNX_ID | MNXM819826 |
 |
| reference | sabiorkM:8328 |
| formula | C84H154N2O37P2 |
| global charge | 0 |
| mol weight | 1846.081 |
| InChIKey | XAOLJGCZESYRFT-SWRRZUCNSA-N |
| InChI | InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55?,56?,57?,58?,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1 |
| SMILES | CCCCCCCCCCCC(O)CC(=O)O[C@@H]1[C@@H](N=C(O)CC(O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](N=C(O)CC(O)CCCCCCCCCCC)[C@@H](OC(=O)CC(O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@H]1OP(=O)(O)O |
MNX internals
| InChI (mnx) | InChI=1/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55?,56?,57?,58?,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH:55]([CH2:45][C:65](=[N:85][C@@H:69]1[C@@H:77]([O:117][C:67]([CH2:47][CH:57]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])[OH:91])=[O:98])[C@H:73]([OH:102])[C@@H:63]([CH2:53][O:113][C@H:79]2[C@H:70]([N:86]=[C:66]([CH2:46][CH:56]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])[OH:90])[OH:97])[C@@H:78]([O:118][C:68]([CH2:48][CH:58]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])[OH:92])=[O:99])[C@H:76]([O:122][P:124]([OH:107])([OH:108])=[O:109])[C@@H:64]([CH2:54][O:114][C@:83]3([C:81](=[O:103])[OH:104])[CH2:50][C@@H:62]([O:119][C@:84]4([C:82](=[O:105])[OH:106])[CH2:49][C@@H:59]([OH:93])[C@@H:71]([OH:100])[C@@H:74]([C@@H:60]([CH2:51][OH:87])[OH:94])[O:121]4)[C@@H:72]([OH:101])[C@@H:75]([C@@H:61]([CH2:52][OH:88])[OH:95])[O:120]3)[O:116]2)[O:115][C@@H:80]1[O:123][P:125]([OH:110])([OH:111])=[O:112])[OH:96])[OH:89] |
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