| Properties | Image |
|---|
| MNX_ID | MNXM956230 |
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| reference | slm:000648615 |
| formula | C58H99NO9P |
| global charge | -1 |
| mol weight | 985.402 |
| InChIKey | SAMUAIBZWNRECZ-AWENTDGKSA-M |
| InChI | InChI=1S/C58H100NO9P/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-31-35-39-43-47-56(60)59-50-51-66-69(63,64)67-53-55(68-58(62)49-45-41-37-33-29-30-34-38-42-46-54(3)4)52-65-57(61)48-44-40-36-32-28-26-23-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-25,28,31-32,35,54-55H,5-12,17-18,22,26-27,29-30,33-34,36-53H2,1-4H3,(H,59,60)(H,63,64)/p-1/b15-13-,16-14-,21-19-,23-20-,25-24-,32-28-,35-31-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C58H100NO9P/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-31-35-39-43-47-56(60)59-50-51-66-69(63,64)67-53-55(68-58(62)49-45-41-37-33-29-30-34-38-42-46-54(3)4)52-65-57(61)48-44-40-36-32-28-26-23-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-25,28,31-32,35,54-55H,5-12,17-18,22,26-27,29-30,33-34,36-53H2,1-4H3,(H,59,60)(H,63,64)/b15-13-,16-14-,21-19-,23-20-,25-24-,32-28-,35-31-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:24]=[CH:25]\[CH2:27]/[CH:31]=[CH:35]\[CH2:39][CH2:43][CH2:47][C:56](=[N:59][CH2:50][CH2:51][O:66][P:69]([OH:63])(=[O:64])[O:67][CH2:53][C@@H:55]([CH2:52][O:65][C:57]([CH2:48][CH2:44][CH2:40][CH2:36]/[CH:32]=[CH:28]\[CH2:26]/[CH:23]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61])[O:68][C:58]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH:54]([CH3:3])[CH3:4])=[O:62])[OH:60] |
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