| Properties | Image |
|---|
| MNX_ID | MNXM939228 |
 |
| reference | slm:000631613 |
| formula | C87H149NO9P |
| global charge | -1 |
| mol weight | 1384.121 |
| InChIKey | PMPDFEVUAORQSO-YQGKZVAMSA-M |
| InChI | InChI=1S/C87H150NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-40-41-42-43-44-46-47-49-51-53-55-57-60-63-66-69-72-75-78-86(90)94-82-84(83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-24-21-18-15-12-9-6-3)97-87(91)79-76-73-70-67-64-61-58-56-54-52-50-48-45-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-39,45,50,52,84H,4-6,9,12-15,18,21-24,29-30,35-36,40-44,46-49,51,53-83H2,1-3H3,(H,88,89)(H,92,93)/p-1/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,39-37-,45-38-,52-50-/t84-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C87H150NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-40-41-42-43-44-46-47-49-51-53-55-57-60-63-66-69-72-75-78-86(90)94-82-84(83-96-98(92,93)95-81-80-88-85(89)77-74-71-68-65-62-59-24-21-18-15-12-9-6-3)97-87(91)79-76-73-70-67-64-61-58-56-54-52-50-48-45-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,37-39,45,50,52,84H,4-6,9,12-15,18,21-24,29-30,35-36,40-44,46-49,51,53-83H2,1-3H3,(H,88,89)(H,92,93)/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,39-37-,45-38-,52-50-/t84-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:46][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][CH2:78][C:86](=[O:90])[O:94][CH2:82][C@H:84]([CH2:83][O:96][P:98]([OH:92])(=[O:93])[O:95][CH2:81][CH2:80][N:88]=[C:85]([CH2:77][CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:89])[O:97][C:87]([CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:56][CH2:54]/[CH:52]=[CH:50]\[CH2:48]/[CH:45]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:91] |
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