| Properties | Image |
|---|
| MNX_ID | MNXM1052391 |
 |
| reference | slm:000744791 |
| formula | C56H85N3O15P2 |
| global charge | -2 |
| mol weight | 1102.25 |
| InChIKey | HYGWEAHFYZIPAH-YKGBZFHBSA-L |
| InChI | InChI=1S/C56H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-51(60)69-45-48(72-52(61)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2)46-70-75(65,66)74-76(67,68)71-47-49-53(62)54(63)55(73-49)59-44-43-50(57)58-56(59)64/h5,7,11-14,17-20,22-23,26-28,30-31,33,43-44,48-49,53-55,62-63H,3-4,6,8-10,15-16,21,24-25,29,32,34-42,45-47H2,1-2H3,(H,65,66)(H,67,68)(H2,57,58,64)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,27-26-,30-28-,33-31-/t48-,49-,53-,54-,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-51(60)69-45-48(72-52(61)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2)46-70-75(65,66)74-76(67,68)71-47-49-53(62)54(63)55(73-49)59-44-43-50(57)58-56(59)64/h5,7,11-14,17-20,22-23,26-28,30-31,33,43-44,48-49,53-55,62-63H,3-4,6,8-10,15-16,21,24-25,29,32,34-42,45-47H2,1-2H3,(H,65,66)(H,67,68)(H2,57,58,64)/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,27-26-,30-28-,33-31-/t48-,49-,53-,54-,55-/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:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][C:51](=[O:60])[O:69][CH2:45][C@H:48]([CH2:46][O:70][P:75]([OH:65])(=[O:66])[O:74][P:76]([OH:67])(=[O:68])[O:71][CH2:47][C@@H:49]1[C@@H:53]([OH:62])[C@@H:54]([OH:63])[C@H:55]([N:59]2[CH:44]=[CH:43][C:50](=[NH:57])[N:58]=[C:56]2[OH:64])[O:73]1)[O:72][C:52]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:25]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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