| Properties | Image |
|---|
| MNX_ID | MNXM965402 |
 |
| reference | slm:000657787 |
| formula | C75H127NO9P |
| global charge | -1 |
| mol weight | 1217.813 |
| InChIKey | LUCNFBDPQMDUNO-LTUNLVHGSA-M |
| InChI | InChI=1S/C75H128NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-43-40-31-29-26-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-29,32-33,35-36,40,43-44,49,52,58,61,72H,4-15,18,21-24,30-31,34,37-39,41-42,45-48,50-51,53-57,59-60,62-71H2,1-3H3,(H,76,77)(H,80,81)/p-1/b19-16-,20-17-,28-25-,29-26-,33-32-,36-35-,43-40-,44-27-,52-49-,61-58-/t72-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H128NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-63-66-74(78)82-70-72(85-75(79)67-64-61-58-55-52-49-46-43-40-31-29-26-23-20-17-14-11-8-5-2)71-84-86(80,81)83-69-68-76-73(77)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-29,32-33,35-36,40,43-44,49,52,58,61,72H,4-15,18,21-24,30-31,34,37-39,41-42,45-48,50-51,53-57,59-60,62-71H2,1-3H3,(H,76,77)(H,80,81)/b19-16-,20-17-,28-25-,29-26-,33-32-,36-35-,43-40-,44-27-,52-49-,61-58-/t72-/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]\[CH2:30]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][C:74](=[O:78])[O:82][CH2:70][C@H:72]([CH2:71][O:84][P:86]([OH:80])(=[O:81])[O:83][CH2:69][CH2:68][N:76]=[C:73]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:77])[O:85][C:75]([CH2:67][CH2:64]/[CH:61]=[CH:58]\[CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:40]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:79] |
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