| Properties | Image |
|---|
| MNX_ID | MNXM960033 |
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| reference | slm:000652418 |
| formula | C61H111NO9P |
| global charge | -1 |
| mol weight | 1033.531 |
| InChIKey | ISSSHJMQJFZBJY-OTPKOEHCSA-M |
| InChI | InChI=1S/C61H112NO9P/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/h16,19,25,27,29-30,35,37,58H,4-15,17-18,20-24,26,28,31-34,36,38-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b19-16-,27-25-,30-29-,37-35-/t58-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H112NO9P/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/h16,19,25,27,29-30,35,37,58H,4-15,17-18,20-24,26,28,31-34,36,38-57H2,1-3H3,(H,62,63)(H,66,67)/b19-16-,27-25-,30-29-,37-35-/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][CH2:39][CH2:36][CH2:34][CH2:31][CH2:26][CH2:23][CH2:20][CH2:17][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][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65] |
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