| Properties | Image |
MNX_ID | MNXM356717 |
 |
reference | slm:000041802 |
formula | C57H102O10P |
global charge | -1 |
mol weight | 978.407 |
InChIKey | VFSBWUHGLJRRKA-QCSQSPJFSA-M |
InChI | InChI=1S/C57H103O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-57(61)67-55(53-66-68(62,63)65-51-54(59)50-58)52-64-56(60)48-46-44-42-40-38-36-34-32-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29-30,54-55,58-59H,3-10,12,14-16,18,20-22,25,28,31-53H2,1-2H3,(H,62,63)/p-1/b13-11-,19-17-,24-23-,27-26-,30-29-/t54-,55+/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
InChI (mnx) | InChI=1/C57H103O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-57(61)67-55(53-66-68(62,63)65-51-54(59)50-58)52-64-56(60)48-46-44-42-40-38-36-34-32-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29-30,54-55,58-59H,3-10,12,14-16,18,20-22,25,28,31-53H2,1-2H3,(H,62,63)/b13-11-,19-17-,24-23-,27-26-,30-29-/t54-,55+/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:57](=[O:61])[O:67][C@H:55]([CH2:52][O:64][C:56]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:53][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:51][C@H:54]([CH2:50][OH:58])[OH:59] |
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