| Properties | Image |
|---|
| MNX_ID | MNXM165105 |
 |
| reference | metacycM:CPD-19323 |
| formula | C74H125N2O22P3 |
| global charge | -2 |
| mol weight | 1487.728 |
| InChIKey | PLTGFWPQYWNYSK-GZZCEPAZSA-L |
| InChI | InChI=1S/C74H127N2O22P3/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-91-100(87,88)98-101(89,90)97-73-67(76-62(14)78)72(66(75)61(13)94-73)96-74-71(84)70(83)69(82)65(95-74)49-93-99(85,86)92-48-64(80)68(81)63(79)47-77/h25,27,29,31,33,35,37,39,41,43,45,61,63-74,77,79-84H,15-24,26,28,30,32,34,36,38,40,42,44,46-49,75H2,1-14H3,(H,76,78)(H,85,86)(H,87,88)(H,89,90)/p-2/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t61-,63+,64-,65-,66+,67-,68+,69-,70+,71-,72+,73+,74+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](C)[C@H]([NH3+])[C@@H]1O[C@@H]1O[C@H](COP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C74H127N2O22P3/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-91-100(87,88)98-101(89,90)97-73-67(76-62(14)78)72(66(75)61(13)94-73)96-74-71(84)70(83)69(82)65(95-74)49-93-99(85,86)92-48-64(80)68(81)63(79)47-77/h25,27,29,31,33,35,37,39,41,43,45,61,63-74,77,79-84H,15-24,26,28,30,32,34,36,38,40,42,44,46-49,75H2,1-14H3,(H,76,78)(H,85,86)(H,87,88)(H,89,90)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t61-,63+,64-,65-,66+,67-,68+,69-,70+,71-,72+,73+,74+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:51]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:52]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:53]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:54]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:55]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:56]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:57]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:58]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:59]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:60]([CH3:12])=[CH:45]\[CH2:46][O:91][P:100]([OH:87])(=[O:88])[O:98][P:101]([OH:89])(=[O:90])[O:97][C@H:73]1[C@H:67]([N:76]=[C:62]([CH3:14])[OH:78])[C@@H:72]([O:96][C@H:74]2[C@H:71]([OH:84])[C@@H:70]([OH:83])[C@H:69]([OH:82])[C@@H:65]([CH2:49][O:93][P:99]([OH:85])(=[O:86])[O:92][CH2:48][C@H:64]([C@H:68]([C@H:63]([CH2:47][OH:77])[OH:79])[OH:81])[OH:80])[O:95]2)[C@@H:66]([NH2:75])[C@@H:61]([CH3:13])[O:94]1 |
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