| Properties | Image |
|---|
| MNX_ID | MNXM961088 |
 |
| reference | slm:000653473 |
| formula | C85H141NO9P |
| global charge | -1 |
| mol weight | 1352.035 |
| InChIKey | XQNREFBMKDPPKI-RBKDFDOUSA-M |
| InChI | InChI=1S/C85H142NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-50-53-56-59-62-65-68-71-74-77-85(89)95-82(80-92-84(88)76-73-70-67-64-61-58-55-52-49-32-29-26-23-20-17-14-11-8-5-2)81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-54-51-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,33-34,36-37,39-40,49,52,54,57-58,61,63,66,82H,4-15,22-24,31-32,35,38,41-48,50-51,53,55-56,59-60,62,64-65,67-81H2,1-3H3,(H,86,87)(H,90,91)/p-1/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,37-36-,40-39-,52-49-,57-54-,61-58-,66-63-/t82-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H142NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-50-53-56-59-62-65-68-71-74-77-85(89)95-82(80-92-84(88)76-73-70-67-64-61-58-55-52-49-32-29-26-23-20-17-14-11-8-5-2)81-94-96(90,91)93-79-78-86-83(87)75-72-69-66-63-60-57-54-51-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,33-34,36-37,39-40,49,52,54,57-58,61,63,66,82H,4-15,22-24,31-32,35,38,41-48,50-51,53,55-56,59-60,62,64-65,67-81H2,1-3H3,(H,86,87)(H,90,91)/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,37-36-,40-39-,52-49-,57-54-,61-58-,66-63-/t82-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:39]=[CH:40]\[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][CH2:77][C:85](=[O:89])[O:95][C@H:82]([CH2:80][O:92][C:84]([CH2:76][CH2:73][CH2:70][CH2:67][CH2:64]/[CH:61]=[CH:58]\[CH2:55]/[CH:52]=[CH:49]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:88])[CH2:81][O:94][P:96]([OH:90])(=[O:91])[O:93][CH2:79][CH2:78][N:86]=[C:83]([CH2:75][CH2:72][CH2:69]/[CH:66]=[CH:63]\[CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:87] |
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