| Properties | Image |
|---|
| MNX_ID | MNXM964610 |
 |
| reference | slm:000656995 |
| formula | C87H153NO9P |
| global charge | -1 |
| mol weight | 1388.153 |
| InChIKey | WIMCEJYRUTZZEX-GQXJEATDSA-M |
| InChI | InChI=1S/C87H154NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-41-42-43-44-45-46-48-50-52-54-56-58-61-64-67-70-73-76-79-87(91)97-84(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)82-94-86(90)78-75-72-69-66-63-60-57-55-53-51-49-47-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,47,49,84H,4-15,18,21-24,29-30,35-36,39,42-46,48,50-83H2,1-3H3,(H,88,89)(H,92,93)/p-1/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,38-37-,41-40-,49-47-/t84-/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)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C87H154NO9P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-41-42-43-44-45-46-48-50-52-54-56-58-61-64-67-70-73-76-79-87(91)97-84(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)82-94-86(90)78-75-72-69-66-63-60-57-55-53-51-49-47-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,37-38,40-41,47,49,84H,4-15,18,21-24,29-30,35-36,39,42-46,48,50-83H2,1-3H3,(H,88,89)(H,92,93)/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,38-37-,41-40-,49-47-/t84-/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:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:38]\[CH2:39]/[CH:40]=[CH:41]\[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][CH2:76][CH2:79][C:87](=[O:91])[O:97][C@H:84]([CH2:82][O:94][C:86]([CH2:78][CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:55][CH2:53][CH2:51]/[CH:49]=[CH:47]\[CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:90])[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] |
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