| Properties | Image |
|---|
| MNX_ID | MNXM955965 |
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| reference | slm:000648350 |
| formula | C77H135NO9P |
| global charge | -1 |
| mol weight | 1249.899 |
| InChIKey | PPKXEJLOCXHEMW-OBXBMHRISA-M |
| InChI | InChI=1S/C77H136NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-48-51-54-57-60-63-66-69-77(81)87-74(72-84-76(80)68-65-62-59-56-53-50-47-27-24-21-18-15-12-9-6-3)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30-31,33-34,47,53,56,74H,4-15,17,22,24,26,29,32,35-46,48-52,54-55,57-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b19-16-,21-18-,23-20-,28-25-,31-30-,34-33-,47-27-,56-53-/t74-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H136NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-48-51-54-57-60-63-66-69-77(81)87-74(72-84-76(80)68-65-62-59-56-53-50-47-27-24-21-18-15-12-9-6-3)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-26-23-20-17-14-11-8-5-2/h16,18-21,23,25,27-28,30-31,33-34,47,53,56,74H,4-15,17,22,24,26,29,32,35-46,48-52,54-55,57-73H2,1-3H3,(H,78,79)(H,82,83)/b19-16-,21-18-,23-20-,28-25-,31-30-,34-33-,47-27-,56-53-/t74-/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]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][C:77](=[O:81])[O:87][C@H:74]([CH2:72][O:84][C:76]([CH2:68][CH2:65][CH2:62][CH2:59]/[CH:56]=[CH:53]\[CH2:50]/[CH:47]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:80])[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][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:79] |
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