| Properties | Image |
|---|
| MNX_ID | MNXM322736 |
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| reference | slm:000005078 |
| formula | C54H91NO10P |
| global charge | -1 |
| mol weight | 945.293 |
| InChIKey | VPCGFVKUNRIMSZ-SYBPBALLSA-M |
| InChI | InChI=1S/C54H92NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-53(57)65-50(48-63-66(60,61)64-49-51(55)54(58)59)47-62-52(56)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-18,20-21,23-24,50-51H,3-4,6,9,12,15,19,22,25-49,55H2,1-2H3,(H,58,59)(H,60,61)/p-1/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-/t50-,51+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H92NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-53(57)65-50(48-63-66(60,61)64-49-51(55)54(58)59)47-62-52(56)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-18,20-21,23-24,50-51H,3-4,6,9,12,15,19,22,25-49,55H2,1-2H3,(H,58,59)(H,60,61)/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-/t50-,51+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:53](=[O:57])[O:65][C@H:50]([CH2:47][O:62][C:52]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:56])[CH2:48][O:63][P:66]([OH:60])(=[O:61])[O:64][CH2:49][C@@H:51]([C:54](=[O:58])[OH:59])[NH2:55] |
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