| Properties | Image |
|---|
| MNX_ID | MNXM957854 |
 |
| reference | slm:000650239 |
| formula | C67H107NO9P |
| global charge | -1 |
| mol weight | 1101.565 |
| InChIKey | NSXDCIJLYZNONC-DOKJCLLGSA-M |
| InChI | InChI=1S/C67H108NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-39,41,45,47-48,50,64H,4-8,10-11,13-15,22-24,31,33-34,37,40,42-44,46,49,51-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,48-45-,50-47-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC/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/C67H108NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-66(70)74-62-64(77-67(71)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32,35-36,38-39,41,45,47-48,50,64H,4-8,10-11,13-15,22-24,31,33-34,37,40,42-44,46,49,51-63H2,1-3H3,(H,68,69)(H,72,73)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,41-38-,48-45-,50-47-/t64-/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:32]=[CH:35]\[CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:66](=[O:70])[O:74][CH2:62][C@H:64]([CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:69])[O:77][C:67]([CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:38]\[CH2:34]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:71] |
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