| Properties | Image |
|---|
| MNX_ID | MNXM1050256 |
 |
| reference | slm:000742656 |
| formula | C68H113N3O15P2 |
| global charge | -2 |
| mol weight | 1274.606 |
| InChIKey | WBOKRANOLQXOGR-XXFCIMNZSA-L |
| InChI | InChI=1S/C68H115N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-64(73)84-60(57-81-63(72)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)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/h11-14,17-19,21-22,24-25,39,43,45,55-56,60-61,65-67,74-75H,3-10,15-16,20,23,26-38,40-42,44,46-54,57-59H2,1-2H3,(H,77,78)(H,79,80)(H2,69,70,76)/p-2/b13-11-,14-12-,19-17-,22-21-,25-24-,39-18-,45-43-/t60-,61-,65-,66-,67-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/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/C68H115N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-64(73)84-60(57-81-63(72)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)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/h11-14,17-19,21-22,24-25,39,43,45,55-56,60-61,65-67,74-75H,3-10,15-16,20,23,26-38,40-42,44,46-54,57-59H2,1-2H3,(H,77,78)(H,79,80)(H2,69,70,76)/b13-11-,14-12-,19-17-,22-21-,25-24-,39-18-,45-43-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:64](=[O:73])[O:84][C@H:60]([CH2:57][O:81][C:63]([CH2:53][CH2:51][CH2:49][CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:39]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:72])[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 |
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