| Properties | Image |
|---|
| MNX_ID | MNXM1051337 |
 |
| reference | slm:000743737 |
| formula | C66H111N3O15P2 |
| global charge | -2 |
| mol weight | 1248.568 |
| InChIKey | HIMLWEDWSDUYPY-IEDNNEGJSA-L |
| InChI | InChI=1S/C66H113N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-62(71)82-58(55-79-61(70)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2)56-80-85(75,76)84-86(77,78)81-57-59-63(72)64(73)65(83-59)69-54-53-60(67)68-66(69)74/h5,7,11,13,17-20,23-24,26-27,53-54,58-59,63-65,72-73H,3-4,6,8-10,12,14-16,21-22,25,28-52,55-57H2,1-2H3,(H,75,76)(H,77,78)(H2,67,68,74)/p-2/b7-5-,13-11-,19-17-,20-18-,24-23-,27-26-/t58-,59-,63-,64-,65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C66H113N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-62(71)82-58(55-79-61(70)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2)56-80-85(75,76)84-86(77,78)81-57-59-63(72)64(73)65(83-59)69-54-53-60(67)68-66(69)74/h5,7,11,13,17-20,23-24,26-27,53-54,58-59,63-65,72-73H,3-4,6,8-10,12,14-16,21-22,25,28-52,55-57H2,1-2H3,(H,75,76)(H,77,78)(H2,67,68,74)/b7-5-,13-11-,19-17-,20-18-,24-23-,27-26-/t58-,59-,63-,64-,65-/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:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:62](=[O:71])[O:82][C@H:58]([CH2:55][O:79][C:61]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:70])[CH2:56][O:80][P:85]([OH:75])(=[O:76])[O:84][P:86]([OH:77])(=[O:78])[O:81][CH2:57][C@@H:59]1[C@@H:63]([OH:72])[C@@H:64]([OH:73])[C@H:65]([N:69]2[CH:54]=[CH:53][C:60](=[NH:67])[N:68]=[C:66]2[OH:74])[O:83]1 |
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