| Properties | Image |
|---|
| MNX_ID | MNXM1055039 |
 |
| reference | slm:000747439 |
| formula | C86H145N3O15P2 |
| global charge | -2 |
| mol weight | 1523.06 |
| InChIKey | XFHJQYMWCHWKMY-HMQDHJAHSA-L |
| InChI | InChI=1S/C86H147N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-81(90)99-75-78(76-100-105(95,96)104-106(97,98)101-77-79-83(92)84(93)85(103-79)89-74-73-80(87)88-86(89)94)102-82(91)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,73-74,78-79,83-85,92-93H,3-10,15-16,21-22,27-28,33-34,36,38-72,75-77H2,1-2H3,(H,95,96)(H,97,98)(H2,87,88,94)/p-2/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t78-,79-,83-,84-,85-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H147N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-81(90)99-75-78(76-100-105(95,96)104-106(97,98)101-77-79-83(92)84(93)85(103-79)89-74-73-80(87)88-86(89)94)102-82(91)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,73-74,78-79,83-85,92-93H,3-10,15-16,21-22,27-28,33-34,36,38-72,75-77H2,1-2H3,(H,95,96)(H,97,98)(H2,87,88,94)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t78-,79-,83-,84-,85-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:38][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:67][CH2:69][CH2:71][C:81](=[O:90])[O:99][CH2:75][C@H:78]([CH2:76][O:100][P:105]([OH:95])(=[O:96])[O:104][P:106]([OH:97])(=[O:98])[O:101][CH2:77][C@@H:79]1[C@@H:83]([OH:92])[C@@H:84]([OH:93])[C@H:85]([N:89]2[CH:74]=[CH:73][C:80](=[NH:87])[N:88]=[C:86]2[OH:94])[O:103]1)[O:102][C:82]([CH2:72][CH2:70][CH2:68][CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:39][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:91] |
|