| Properties | Image |
|---|
| MNX_ID | MNXM1132578 |
 |
| reference | metacycM:CPD-23844 |
| formula | C76H124N2O21P2 |
| global charge | -2 |
| mol weight | 1463.769 |
| InChIKey | UZVVELNFPVMGDK-KOHFLBNDSA-L |
| InChI | InChI=1S/C76H126N2O21P2/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)45-46-92-100(88,89)99-101(90,91)98-75-67(78-62(14)83)73(69(85)64(48-80)93-75)97-74-66(77-61(13)82)70(86)72(65(49-81)95-74)96-76-71(87)68(84)63(47-79)94-76/h25,27,29,31,33,35,37,39,41,43,45,63-76,79-81,84-87H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,77,82)(H,78,83)(H,88,89)(H,90,91)/p-2/b51-27-,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[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)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C76H126N2O21P2/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)45-46-92-100(88,89)99-101(90,91)98-75-67(78-62(14)83)73(69(85)64(48-80)93-75)97-74-66(77-61(13)82)70(86)72(65(49-81)95-74)96-76-71(87)68(84)63(47-79)94-76/h25,27,29,31,33,35,37,39,41,43,45,63-76,79-81,84-87H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,77,82)(H,78,83)(H,88,89)(H,90,91)/b51-27-,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76+/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:92][P:100]([OH:88])(=[O:89])[O:99][P:101]([OH:90])(=[O:91])[O:98][C@@H:75]1[C@H:67]([N:78]=[C:62]([CH3:14])[OH:83])[C@@H:73]([O:97][C@@H:74]2[C@H:66]([N:77]=[C:61]([CH3:13])[OH:82])[C@@H:70]([OH:86])[C@@H:72]([O:96][C@H:76]3[C@H:71]([OH:87])[C@H:68]([OH:84])[C@@H:63]([CH2:47][OH:79])[O:94]3)[C@@H:65]([CH2:49][OH:81])[O:95]2)[C@H:69]([OH:85])[C@@H:64]([CH2:48][OH:80])[O:93]1 |
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