| Properties | Image |
|---|
| MNX_ID | MNXM1054386 |
 |
| reference | slm:000746786 |
| formula | C62H105N3O15P2 |
| global charge | -2 |
| mol weight | 1194.476 |
| InChIKey | SHAHIAMMOQEIAA-WDMNKOFLSA-L |
| InChI | InChI=1S/C62H107N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-57(66)75-51-54(78-58(67)48-46-44-42-40-38-35-16-14-12-10-8-6-4-2)52-76-81(71,72)80-82(73,74)77-53-55-59(68)60(69)61(79-55)65-50-49-56(63)64-62(65)70/h5,7,11,13,17-18,20-21,23-24,49-50,54-55,59-61,68-69H,3-4,6,8-10,12,14-16,19,22,25-48,51-53H2,1-2H3,(H,71,72)(H,73,74)(H2,63,64,70)/p-2/b7-5-,13-11-,18-17-,21-20-,24-23-/t54-,55-,59-,60-,61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H107N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-57(66)75-51-54(78-58(67)48-46-44-42-40-38-35-16-14-12-10-8-6-4-2)52-76-81(71,72)80-82(73,74)77-53-55-59(68)60(69)61(79-55)65-50-49-56(63)64-62(65)70/h5,7,11,13,17-18,20-21,23-24,49-50,54-55,59-61,68-69H,3-4,6,8-10,12,14-16,19,22,25-48,51-53H2,1-2H3,(H,71,72)(H,73,74)(H2,63,64,70)/b7-5-,13-11-,18-17-,21-20-,24-23-/t54-,55-,59-,60-,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:57](=[O:66])[O:75][CH2:51][C@H:54]([CH2:52][O:76][P:81]([OH:71])(=[O:72])[O:80][P:82]([OH:73])(=[O:74])[O:77][CH2:53][C@@H:55]1[C@@H:59]([OH:68])[C@@H:60]([OH:69])[C@H:61]([N:65]2[CH:50]=[CH:49][C:56](=[NH:63])[N:64]=[C:62]2[OH:70])[O:79]1)[O:78][C:58]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:35][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:67] |
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