| Properties | Image |
|---|
| MNX_ID | MNXM958221 |
 |
| reference | slm:000650606 |
| formula | C57H97NO9P |
| global charge | -1 |
| mol weight | 971.375 |
| InChIKey | CAODSELFCPTVIA-XPJUYTSSSA-M |
| InChI | InChI=1S/C57H98NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-46-49-57(61)67-54(53-66-68(62,63)65-51-50-58-55(59)47-44-9-6-3)52-64-56(60)48-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-28,30-31,33,54H,4-13,18-19,24-25,29,32,34-53H2,1-3H3,(H,58,59)(H,62,63)/p-1/b16-14-,17-15-,22-20-,23-21-,27-26-,30-28-,33-31-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-46-49-57(61)67-54(53-66-68(62,63)65-51-50-58-55(59)47-44-9-6-3)52-64-56(60)48-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-28,30-31,33,54H,4-13,18-19,24-25,29,32,34-53H2,1-3H3,(H,58,59)(H,62,63)/b16-14-,17-15-,22-20-,23-21-,27-26-,30-28-,33-31-/t54-/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]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][C:57](=[O:61])[O:67][C@H:54]([CH2:52][O:64][C:56]([CH2:48][CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[CH2:53][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:51][CH2:50][N:58]=[C:55]([CH2:47][CH2:44][CH2:9][CH2:6][CH3:3])[OH:59] |
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