| Properties | Image |
|---|
| MNX_ID | MNXM1021312 |
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| reference | slm:000713701 |
| formula | C55H97NO8P |
| global charge | -1 |
| mol weight | 931.354 |
| InChIKey | HZRBRPCZPGKKNK-LSDPZOSZSA-M |
| InChI | InChI=1S/C55H98NO8P/c1-4-7-10-13-16-19-21-23-25-26-27-29-31-33-36-39-42-45-49-61-51-53(64-55(58)47-44-41-38-35-32-30-28-24-22-20-17-14-11-8-5-2)52-63-65(59,60)62-50-48-56-54(57)46-43-40-37-34-18-15-12-9-6-3/h8,11,17,20,23-25,28,32,35,45,49,53H,4-7,9-10,12-16,18-19,21-22,26-27,29-31,33-34,36-44,46-48,50-52H2,1-3H3,(H,56,57)(H,59,60)/p-1/b11-8-,20-17-,25-23-,28-24-,35-32-,49-45-/t53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98NO8P/c1-4-7-10-13-16-19-21-23-25-26-27-29-31-33-36-39-42-45-49-61-51-53(64-55(58)47-44-41-38-35-32-30-28-24-22-20-17-14-11-8-5-2)52-63-65(59,60)62-50-48-56-54(57)46-43-40-37-34-18-15-12-9-6-3/h8,11,17,20,23-25,28,32,35,45,49,53H,4-7,9-10,12-16,18-19,21-22,26-27,29-31,33-34,36-44,46-48,50-52H2,1-3H3,(H,56,57)(H,59,60)/b11-8-,20-17-,25-23-,28-24-,35-32-,49-45-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21]/[CH:23]=[CH:25]\[CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42]/[CH:45]=[CH:49]\[O:61][CH2:51][C@H:53]([CH2:52][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:50][CH2:48][N:56]=[C:54]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:57])[O:64][C:55]([CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:32]\[CH2:30]/[CH:28]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:58] |
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