| Properties | Image |
|---|
| MNX_ID | MNXM322529 |
 |
| reference | slm:000497568 |
| formula | C54H91O13P2 |
| global charge | -3 |
| mol weight | 1010.257 |
| InChIKey | POZALGNXWKDEOW-TWXAHZSXSA-K |
| InChI | InChI=1S/C54H94O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-54(57)67-52(50-66-69(61,62)65-48-51(55)47-64-68(58,59)60)49-63-53(56)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,23-24,26-27,51-52,55H,3-7,9,12,15,19,22,25,28-50H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-,52+/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-54(57)67-52(50-66-69(61,62)65-48-51(55)47-64-68(58,59)60)49-63-53(56)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,23-24,26-27,51-52,55H,3-7,9,12,15,19,22,25,28-50H2,1-2H3,(H,61,62)(H2,58,59,60)/b10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-,52+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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]/[CH:26]=[CH: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:54](=[O:57])[O:67][C@H:52]([CH2:49][O:63][C:53]([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])[CH2:50][O:66][P:69]([OH:61])(=[O:62])[O:65][CH2:48][C@H:51]([CH2:47][O:64][P:68]([OH:58])([OH:59])=[O:60])[OH:55] |
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