| Properties | Image |
|---|
| MNX_ID | MNXM938944 |
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| reference | slm:000631329 |
| formula | C77H141NO9P |
| global charge | -1 |
| mol weight | 1255.947 |
| InChIKey | WHIBNPOLWNBGFL-MYIOXFIESA-M |
| InChI | InChI=1S/C77H142NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-59-62-65-68-76(80)84-72-74(73-86-88(82,83)85-71-70-78-75(79)67-64-61-12-9-6-3)87-77(81)69-66-63-60-58-56-54-52-50-48-46-44-41-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h7,10,15,17,21,23,27,29,33-34,74H,4-6,8-9,11-14,16,18-20,22,24-26,28,30-32,35-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b10-7-,17-15-,23-21-,29-27-,34-33-/t74-/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-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H142NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-59-62-65-68-76(80)84-72-74(73-86-88(82,83)85-71-70-78-75(79)67-64-61-12-9-6-3)87-77(81)69-66-63-60-58-56-54-52-50-48-46-44-41-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h7,10,15,17,21,23,27,29,33-34,74H,4-6,8-9,11-14,16,18-20,22,24-26,28,30-32,35-73H2,1-3H3,(H,78,79)(H,82,83)/b10-7-,17-15-,23-21-,29-27-,34-33-/t74-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:62][CH2:65][CH2:68][C:76](=[O:80])[O:84][CH2:72][C@H:74]([CH2:73][O:86][P:88]([OH:82])(=[O:83])[O:85][CH2:71][CH2:70][N:78]=[C:75]([CH2:67][CH2:64][CH2:61][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79])[O:87][C:77]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:41][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:81] |
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