| Properties | Image |
|---|
| MNX_ID | MNXM181493 |
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| reference | slm:000471018 |
| formula | C58H95O13P2 |
| global charge | -3 |
| mol weight | 1062.333 |
| InChIKey | VSAGTWWJNOYARB-QRHKCSQDSA-K |
| InChI | InChI=1S/C58H98O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-57(60)67-53-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)71-58(61)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-29,31,33-34,36,55-56,59H,3-10,15-16,21-22,26,30,32,35,37-54H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,33-31-,36-34-/t55-,56+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-57(60)67-53-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)71-58(61)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-25,27-29,31,33-34,36,55-56,59H,3-10,15-16,21-22,26,30,32,35,37-54H2,1-2H3,(H,65,66)(H2,62,63,64)/b13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,33-31-,36-34-/t55-,56+/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:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:57](=[O:60])[O:67][CH2:53][C@H:56]([CH2:54][O:70][P:73]([OH:65])(=[O:66])[O:69][CH2:52][C@H:55]([CH2:51][O:68][P:72]([OH:62])([OH:63])=[O:64])[OH:59])[O:71][C:58]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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