| Properties | Image |
|---|
| MNX_ID | MNXM1053827 |
 |
| reference | slm:000746227 |
| formula | C64H99N3O15P2 |
| global charge | -2 |
| mol weight | 1212.45 |
| InChIKey | FDJUNYWQHJXUPF-VTCDBWEHSA-L |
| InChI | InChI=1S/C64H101N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-59(68)77-53-56(80-60(69)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2)54-78-83(73,74)82-84(75,76)79-55-57-61(70)62(71)63(81-57)67-52-51-58(65)66-64(67)72/h5,7,11-14,17-20,23-24,26-27,29-31,34,38,40,51-52,56-57,61-63,70-71H,3-4,6,8-10,15-16,21-22,25,28,32-33,35-37,39,41-50,53-55H2,1-2H3,(H,73,74)(H,75,76)(H2,65,66,72)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,34-31-,40-38-/t56-,57-,61-,62-,63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H101N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-59(68)77-53-56(80-60(69)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2)54-78-83(73,74)82-84(75,76)79-55-57-61(70)62(71)63(81-57)67-52-51-58(65)66-64(67)72/h5,7,11-14,17-20,23-24,26-27,29-31,34,38,40,51-52,56-57,61-63,70-71H,3-4,6,8-10,15-16,21-22,25,28,32-33,35-37,39,41-50,53-55H2,1-2H3,(H,73,74)(H,75,76)(H2,65,66,72)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,34-31-,40-38-/t56-,57-,61-,62-,63-/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]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:59](=[O:68])[O:77][CH2:53][C@H:56]([CH2:54][O:78][P:83]([OH:73])(=[O:74])[O:82][P:84]([OH:75])(=[O:76])[O:79][CH2:55][C@@H:57]1[C@@H:61]([OH:70])[C@@H:62]([OH:71])[C@H:63]([N:67]2[CH:52]=[CH:51][C:58](=[NH:65])[N:66]=[C:64]2[OH:72])[O:81]1)[O:80][C:60]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:31]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:69] |
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