| Properties | Image |
|---|
| MNX_ID | MNXM959586 |
 |
| reference | slm:000651971 |
| formula | C61H101NO9P |
| global charge | -1 |
| mol weight | 1023.451 |
| InChIKey | WVAQUVHTLXCREG-XFMIXJNYSA-M |
| InChI | InChI=1S/C61H102NO9P/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30-32,34,40,43,58H,4-7,9-10,12-15,18,22-23,29,33,35-39,41-42,44-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b11-8-,19-16-,20-17-,24-21+,28-25-,30-26-,31-27-,34-32-,43-40-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H102NO9P/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,30-32,34,40,43,58H,4-7,9-10,12-15,18,22-23,29,33,35-39,41-42,44-57H2,1-3H3,(H,62,63)(H,66,67)/b11-8-,19-16-,20-17-,24-21+,28-25-,30-26-,31-27-,34-32-,43-40-/t58-/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:32]=[CH:34]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][CH2:52][C:60](=[O:64])[O:68][CH2:56][C@H:58]([CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:59]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:31]=[CH:27]\[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65] |
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