| Properties | Image |
|---|
| MNX_ID | MNXM966859 |
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| reference | slm:000659244 |
| formula | C60H109NO9P |
| global charge | -1 |
| mol weight | 1019.504 |
| InChIKey | KHIJRQHJKOHPNJ-YKDOYHQNSA-M |
| InChI | InChI=1S/C60H110NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-48-51-59(63)67-55-57(56-69-71(65,66)68-54-53-61-58(62)50-47-9-6-3)70-60(64)52-49-46-44-42-40-37-21-19-17-15-13-11-8-5-2/h14,16,20,22,24-25,27-28,57H,4-13,15,17-19,21,23,26,29-56H2,1-3H3,(H,61,62)(H,65,66)/p-1/b16-14-,22-20-,25-24-,28-27-/t57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H110NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-48-51-59(63)67-55-57(56-69-71(65,66)68-54-53-61-58(62)50-47-9-6-3)70-60(64)52-49-46-44-42-40-37-21-19-17-15-13-11-8-5-2/h14,16,20,22,24-25,27-28,57H,4-13,15,17-19,21,23,26,29-56H2,1-3H3,(H,61,62)(H,65,66)/b16-14-,22-20-,25-24-,28-27-/t57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:48][CH2:51][C:59](=[O:63])[O:67][CH2:55][C@H:57]([CH2:56][O:69][P:71]([OH:65])(=[O:66])[O:68][CH2:54][CH2:53][N:61]=[C:58]([CH2:50][CH2:47][CH2:9][CH2:6][CH3:3])[OH:62])[O:70][C:60]([CH2:52][CH2:49][CH2:46][CH2:44][CH2:42][CH2:40][CH2:37][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64] |
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