| Properties | Image |
|---|
| MNX_ID | MNXM217620 |
 |
| reference | slm:000015450 |
| formula | C63H102O13P |
| global charge | -1 |
| mol weight | 1098.47 |
| InChIKey | GJXOAIYLAMALHF-WUVPERKKSA-M |
| InChI | InChI=1S/C63H103O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-56(64)73-53-55(54-74-77(71,72)76-63-61(69)59(67)58(66)60(68)62(63)70)75-57(65)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28,30,32,34,38,40,55,58-63,66-70H,3-5,7,9-10,15-16,21-22,27,29,31,33,35-37,39,41-54H2,1-2H3,(H,71,72)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,34-32-,40-38-/t55-,58-,59-,60+,61-,62-,63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C63H103O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-56(64)73-53-55(54-74-77(71,72)76-63-61(69)59(67)58(66)60(68)62(63)70)75-57(65)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28,30,32,34,38,40,55,58-63,66-70H,3-5,7,9-10,15-16,21-22,27,29,31,33,35-37,39,41-54H2,1-2H3,(H,71,72)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,34-32-,40-38-/t55-,58-,59-,60+,61-,62-,63-/m1/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:28]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:73][CH2:53][C@H:55]([CH2:54][O:74][P:77]([OH:71])(=[O:72])[O:76][C@@H:63]1[C@H:61]([OH:69])[C@H:59]([OH:67])[C@@H:58]([OH:66])[C@H:60]([OH:68])[C@H:62]1[OH:70])[O:75][C:57]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[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:65] |
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