| Properties | Image |
|---|
| MNX_ID | MNXM955632 |
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| reference | slm:000648017 |
| formula | C53H85NO9P |
| global charge | -1 |
| mol weight | 911.235 |
| InChIKey | RDLHDPFMSSLYBO-QRXNGHQCSA-M |
| InChI | InChI=1S/C53H86NO9P/c1-4-7-10-13-15-17-19-21-23-24-25-26-28-30-32-34-36-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-37-12-9-6-3)48-60-52(56)44-41-38-35-33-31-29-27-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-23,25-27,30-33,36,39,50H,4-6,8-9,11-14,19-20,24,28-29,34-35,37-38,40-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b10-7-,17-15-,18-16-,23-21-,26-25-,27-22-,32-30-,33-31-,39-36-/t50-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H86NO9P/c1-4-7-10-13-15-17-19-21-23-24-25-26-28-30-32-34-36-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-37-12-9-6-3)48-60-52(56)44-41-38-35-33-31-29-27-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-23,25-27,30-33,36,39,50H,4-6,8-9,11-14,19-20,24,28-29,34-35,37-38,40-49H2,1-3H3,(H,54,55)(H,58,59)/b10-7-,17-15-,18-16-,23-21-,26-25-,27-22-,32-30-,33-31-,39-36-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:39]\[CH2:42][CH2:45][C:53](=[O:57])[O:63][C@H:50]([CH2:48][O:60][C:52]([CH2:44][CH2:41][CH2:38][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[CH2:49][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:47][CH2:46][N:54]=[C:51]([CH2:43][CH2:40][CH2:37][CH2:12][CH2:9][CH2:6][CH3:3])[OH:55] |
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