| Properties | Image |
|---|
| MNX_ID | MNXM350484 |
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| reference | slm:000497442 |
| formula | C54H95O13P2 |
| global charge | -3 |
| mol weight | 1014.289 |
| InChIKey | RWSNAOHHUTUEKZ-DIBAEVFISA-K |
| InChI | InChI=1S/C54H98O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-54(57)67-52(49-63-53(56)45-43-41-39-37-12-10-8-6-4-2)50-66-69(61,62)65-48-51(55)47-64-68(58,59)60/h11,13,15-16,18-19,21-22,24-25,51-52,55H,3-10,12,14,17,20,23,26-50H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b13-11-,16-15-,19-18-,22-21-,25-24-/t51-,52+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H98O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-54(57)67-52(49-63-53(56)45-43-41-39-37-12-10-8-6-4-2)50-66-69(61,62)65-48-51(55)47-64-68(58,59)60/h11,13,15-16,18-19,21-22,24-25,51-52,55H,3-10,12,14,17,20,23,26-50H2,1-2H3,(H,61,62)(H2,58,59,60)/b13-11-,16-15-,19-18-,22-21-,25-24-/t51-,52+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][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][CH2:12][CH2:10][CH2:8][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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