| Properties | Image |
|---|
| MNX_ID | MNXM1054391 |
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| reference | slm:000746791 |
| formula | C64H109N3O15P2 |
| global charge | -2 |
| mol weight | 1222.53 |
| InChIKey | NCGXWUNGGNBVQV-FGFPDLRNSA-L |
| InChI | InChI=1S/C64H111N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-59(68)77-53-56(80-60(69)50-48-46-44-42-40-38-35-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,21-22,24-25,51-52,56-57,61-63,70-71H,3-4,6,8-10,12,14-16,18,20,23,26-50,53-55H2,1-2H3,(H,73,74)(H,75,76)(H2,65,66,72)/p-2/b7-5-,13-11-,19-17-,22-21-,25-24-/t56-,57-,61-,62-,63-/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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H111N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-59(68)77-53-56(80-60(69)50-48-46-44-42-40-38-35-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,21-22,24-25,51-52,56-57,61-63,70-71H,3-4,6,8-10,12,14-16,18,20,23,26-50,53-55H2,1-2H3,(H,73,74)(H,75,76)(H2,65,66,72)/b7-5-,13-11-,19-17-,22-21-,25-24-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH: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][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][CH2:40][CH2:38][CH2:35][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:69] |
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