| Properties | Image |
|---|
| MNX_ID | MNXM960457 |
 |
| reference | slm:000652842 |
| formula | C61H101NO9P |
| global charge | -1 |
| mol weight | 1023.451 |
| InChIKey | AWHMDFITIZNHHY-GPQBPKOPSA-M |
| InChI | InChI=1S/C61H102NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h12,15-17,19-21,24-27,29-31,35-37,39,58H,4-11,13-14,18,22-23,28,32-34,38,40-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b15-12-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-/t58-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H102NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h12,15-17,19-21,24-27,29-31,35-37,39,58H,4-11,13-14,18,22-23,28,32-34,38,40-57H2,1-3H3,(H,62,63)(H,66,67)/b15-12-,19-16-,20-17-,24-21-,27-25-,30-29-,31-26-,37-35-,39-36-/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:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32]/[CH:35]=[CH:37]\[CH2:40][CH2:43][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]/[CH:39]=[CH:36]\[CH2:34]/[CH:31]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:33]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:65] |
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