| Properties | Image |
|---|
| MNX_ID | MNXM149032 |
 |
| reference | metacycM:CPD-15797 |
| formula | C74H119N2O19P2 |
| global charge | -3 |
| mol weight | 1402.709 |
| InChIKey | BKNZZLAWFBEHQY-LLUSABRBSA-K |
| InChI | InChI=1S/C74H122N2O19P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-89-96(85,86)95-97(87,88)94-74-67(76-63(15)80)71(90-61(13)72(83)84)70(65(49-78)92-74)93-73-66(75-62(14)79)69(82)68(81)64(48-77)91-73/h26,28,30,32,34,36,38,40,42,44,46,61,64-71,73-74,77-78,81-82H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,75,79)(H,76,80)(H,83,84)(H,85,86)(H,87,88)/p-3/b51-28+,52-30+,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,64-,65-,66-,67-,68-,69-,70-,71-,73+,74-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)[O-])[C@@H](NC(C)=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)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C74H122N2O19P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-89-96(85,86)95-97(87,88)94-74-67(76-63(15)80)71(90-61(13)72(83)84)70(65(49-78)92-74)93-73-66(75-62(14)79)69(82)68(81)64(48-77)91-73/h26,28,30,32,34,36,38,40,42,44,46,61,64-71,73-74,77-78,81-82H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,75,79)(H,76,80)(H,83,84)(H,85,86)(H,87,88)/b51-28+,52-30+,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,64-,65-,66-,67-,68-,69-,70-,71-,73+,74-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:51]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:52]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:53]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:54]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:55]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:56]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:57]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:58]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:59]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:60]([CH3:12])=[CH:46]\[CH2:47][O:89][P:96]([OH:85])(=[O:86])[O:95][P:97]([OH:87])(=[O:88])[O:94][C@@H:74]1[C@H:67]([N:76]=[C:63]([CH3:15])[OH:80])[C@@H:71]([O:90][C@H:61]([CH3:13])[C:72](=[O:83])[OH:84])[C@H:70]([O:93][C@H:73]2[C@H:66]([N:75]=[C:62]([CH3:14])[OH:79])[C@@H:69]([OH:82])[C@H:68]([OH:81])[C@@H:64]([CH2:48][OH:77])[O:91]2)[C@@H:65]([CH2:49][OH:78])[O:92]1 |
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