| Properties | Image |
|---|
| MNX_ID | MNXM234825 |
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| reference | slm:000015995 |
| formula | C57H96O13P |
| global charge | -1 |
| mol weight | 1020.356 |
| InChIKey | HRRXCODGGOGFAY-IBYHFQIKSA-M |
| InChI | InChI=1S/C57H97O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(58)67-47-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)69-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,36,38,49,52-57,60-64H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-35,37,39-48H2,1-2H3,(H,65,66)/p-1/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t49-,52-,53-,54+,55-,56-,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C57H97O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(58)67-47-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)69-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,36,38,49,52-57,60-64H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-35,37,39-48H2,1-2H3,(H,65,66)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t49-,52-,53-,54+,55-,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:67][CH2:47][C@H:49]([CH2:48][O:68][P:71]([OH:65])(=[O:66])[O:70][C@@H:57]1[C@H:55]([OH:63])[C@H:53]([OH:61])[C@@H:52]([OH:60])[C@H:54]([OH:62])[C@H:56]1[OH:64])[O:69][C:51]([CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59] |
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