| Properties | Image |
|---|
| MNX_ID | MNXM1054661 |
 |
| reference | slm:000747061 |
| formula | C68H109N3O15P2 |
| global charge | -2 |
| mol weight | 1270.574 |
| InChIKey | MXOVFVITGBRWEX-RDZXPMAKSA-L |
| InChI | InChI=1S/C68H111N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-63(72)81-57-60(84-64(73)54-52-50-48-46-44-42-40-37-20-18-16-14-12-10-8-6-4-2)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/h6,8,11-14,17-20,22-23,25-26,28-29,40,42,55-56,60-61,65-67,74-75H,3-5,7,9-10,15-16,21,24,27,30-39,41,43-54,57-59H2,1-2H3,(H,77,78)(H,79,80)(H2,69,70,76)/p-2/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-,42-40-/t60-,61-,65-,66-,67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C68H111N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-63(72)81-57-60(84-64(73)54-52-50-48-46-44-42-40-37-20-18-16-14-12-10-8-6-4-2)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/h6,8,11-14,17-20,22-23,25-26,28-29,40,42,55-56,60-61,65-67,74-75H,3-5,7,9-10,15-16,21,24,27,30-39,41,43-54,57-59H2,1-2H3,(H,77,78)(H,79,80)(H2,69,70,76)/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-,42-40-/t60-,61-,65-,66-,67-/m1/s1 |
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| 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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][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][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:37]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:73] |
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