| Properties | Image |
|---|
| MNX_ID | MNXM1054787 |
 |
| reference | slm:000747187 |
| formula | C84H141N3O15P2 |
| global charge | -2 |
| mol weight | 1495.006 |
| InChIKey | QNUXWJMENXJXNA-XWCRGTTRSA-L |
| InChI | InChI=1S/C84H143N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-79(88)97-73-76(74-98-103(93,94)102-104(95,96)99-75-77-81(90)82(91)83(101-77)87-72-71-78(85)86-84(87)92)100-80(89)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,71-72,76-77,81-83,90-91H,3-4,6,8-10,15-16,21-22,27-28,33-70,73-75H2,1-2H3,(H,93,94)(H,95,96)(H2,85,86,92)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t76-,77-,81-,82-,83-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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/C84H143N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-79(88)97-73-76(74-98-103(93,94)102-104(95,96)99-75-77-81(90)82(91)83(101-77)87-72-71-78(85)86-84(87)92)100-80(89)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,71-72,76-77,81-83,90-91H,3-4,6,8-10,15-16,21-22,27-28,33-70,73-75H2,1-2H3,(H,93,94)(H,95,96)(H2,85,86,92)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t76-,77-,81-,82-,83-/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:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][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][C:79](=[O:88])[O:97][CH2:73][C@H:76]([CH2:74][O:98][P:103]([OH:93])(=[O:94])[O:102][P:104]([OH:95])(=[O:96])[O:99][CH2:75][C@@H:77]1[C@@H:81]([OH:90])[C@@H:82]([OH:91])[C@H:83]([N:87]2[CH:72]=[CH:71][C:78](=[NH:85])[N:86]=[C:84]2[OH:92])[O:101]1)[O:100][C:80]([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][CH2:40][CH2:38][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:89] |
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