| Properties | Image |
|---|
| MNX_ID | MNXM1054173 |
 |
| reference | slm:000746573 |
| formula | C68H103N3O15P2 |
| global charge | -2 |
| mol weight | 1264.526 |
| InChIKey | SENGHYXVCIJCPK-OLKBJXEXSA-L |
| InChI | InChI=1S/C68H105N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-63(72)81-57-60(84-64(73)54-52-50-48-46-44-42-40-38-36-33-24-22-20-18-16-14-12-10-8-6-4-2)58-82-87(77,78)86-88(79,80)83-59-61-65(74)66(75)67(85-61)71-56-55-62(69)70-68(71)76/h5-8,11-14,17-20,23-25,27-28,30-31,33,38,40,44,46,55-56,60-61,65-67,74-75H,3-4,9-10,15-16,21-22,26,29,32,34-37,39,41-43,45,47-54,57-59H2,1-2H3,(H,77,78)(H,79,80)(H2,69,70,76)/p-2/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-30-,33-24-,40-38-,46-44-/t60-,61-,65-,66-,67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C68H105N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-63(72)81-57-60(84-64(73)54-52-50-48-46-44-42-40-38-36-33-24-22-20-18-16-14-12-10-8-6-4-2)58-82-87(77,78)86-88(79,80)83-59-61-65(74)66(75)67(85-61)71-56-55-62(69)70-68(71)76/h5-8,11-14,17-20,23-25,27-28,30-31,33,38,40,44,46,55-56,60-61,65-67,74-75H,3-4,9-10,15-16,21-22,26,29,32,34-37,39,41-43,45,47-54,57-59H2,1-2H3,(H,77,78)(H,79,80)(H2,69,70,76)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-30-,33-24-,40-38-,46-44-/t60-,61-,65-,66-,67-/m1/s1 |
 |
| 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:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:63](=[O:72])[O:81][CH2:57][C@H:60]([CH2:58][O:82][P:87]([OH:77])(=[O:78])[O:86][P:88]([OH:79])(=[O:80])[O:83][CH2:59][C@@H:61]1[C@@H:65]([OH:74])[C@@H:66]([OH:75])[C@H:67]([N:71]2[CH:56]=[CH:55][C:62](=[NH:69])[N:70]=[C:68]2[OH:76])[O:85]1)[O:84][C:64]([CH2:54][CH2:52][CH2:50][CH2:48]/[CH:46]=[CH:44]\[CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:33]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:73] |
|