| Properties | Image |
|---|
| MNX_ID | MNXM1040122 |
 |
| reference | slm:000732511 |
| formula | C63H109NO8P |
| global charge | -1 |
| mol weight | 1039.538 |
| InChIKey | XSGSYSMMCYDRLE-BPKLVESQSA-M |
| InChI | InChI=1S/C63H110NO8P/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-62(65)64-56-58-70-73(67,68)71-60-61(59-69-57-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)72-63(66)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33,36,42,45,61H,4-7,9-10,12-15,18,22-23,27,30-32,34-35,37-41,43-44,46-60H2,1-3H3,(H,64,65)(H,67,68)/p-1/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,45-42-/t61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H110NO8P/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-62(65)64-56-58-70-73(67,68)71-60-61(59-69-57-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)72-63(66)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28-29,33,36,42,45,61H,4-7,9-10,12-15,18,22-23,27,30-32,34-35,37-41,43-44,46-60H2,1-3H3,(H,64,65)(H,67,68)/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,36-33-,45-42-/t61-/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]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][CH2:54][C:62](=[N:64][CH2:56][CH2:58][O:70][P:73]([OH:67])(=[O:68])[O:71][CH2:60][C@@H:61]([CH2:59][O:69][CH2:57][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:30][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[O:72][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66])[OH:65] |
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