| Properties | Image |
|---|
| MNX_ID | MNXM222492 |
 |
| reference | slm:000472260 |
| formula | C64H113O13P2 |
| global charge | -3 |
| mol weight | 1152.543 |
| InChIKey | BENNSUKNZQUELR-VBYMAOMASA-K |
| InChI | InChI=1S/C64H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-64(67)77-62(60-76-79(71,72)75-58-61(65)57-74-78(68,69)70)59-73-63(66)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,26-27,61-62,65H,3-4,6,8-10,12,14-16,21-22,25,28-60H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b7-5-,13-11-,19-17-,20-18-,24-23-,27-26-/t61-,62+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C64H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-64(67)77-62(60-76-79(71,72)75-58-61(65)57-74-78(68,69)70)59-73-63(66)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,26-27,61-62,65H,3-4,6,8-10,12,14-16,21-22,25,28-60H2,1-2H3,(H,71,72)(H2,68,69,70)/b7-5-,13-11-,19-17-,20-18-,24-23-,27-26-/t61-,62+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][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][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:64](=[O:67])[O:77][C@H:62]([CH2:59][O:73][C:63]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:66])[CH2:60][O:76][P:79]([OH:71])(=[O:72])[O:75][CH2:58][C@H:61]([CH2:57][O:74][P:78]([OH:68])([OH:69])=[O:70])[OH:65] |
|