| Properties | Image |
|---|
| MNX_ID | MNXM217409 |
 |
| reference | slm:000472103 |
| formula | C70H121O13P2 |
| global charge | -3 |
| mol weight | 1232.673 |
| InChIKey | BRZZECROROYBSW-CYIFCNPXSA-K |
| InChI | InChI=1S/C70H124O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-62-70(73)83-68(66-82-85(77,78)81-64-67(71)63-80-84(74,75)76)65-79-69(72)61-59-57-55-53-51-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-30,37,39,67-68,71H,3-10,15-16,21-22,27-28,31-36,38,40-66H2,1-2H3,(H,77,78)(H2,74,75,76)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,39-37-/t67-,68+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C70H124O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-62-70(73)83-68(66-82-85(77,78)81-64-67(71)63-80-84(74,75)76)65-79-69(72)61-59-57-55-53-51-49-47-45-43-41-39-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-30,37,39,67-68,71H,3-10,15-16,21-22,27-28,31-36,38,40-66H2,1-2H3,(H,77,78)(H2,74,75,76)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,39-37-/t67-,68+/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]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][C:70](=[O:73])[O:83][C@H:68]([CH2:65][O:79][C:69]([CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:28]/[CH:26]=[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:72])[CH2:66][O:82][P:85]([OH:77])(=[O:78])[O:81][CH2:64][C@H:67]([CH2:63][O:80][P:84]([OH:74])([OH:75])=[O:76])[OH:71] |
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