| Properties | Image |
|---|
| MNX_ID | MNXM228259 |
 |
| reference | slm:000497709 |
| formula | C57H101O13P2 |
| global charge | -3 |
| mol weight | 1056.37 |
| InChIKey | JOWHKFIKBSNARO-XGBODBRGSA-K |
| InChI | InChI=1S/C57H104O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36-39-42-45-48-57(60)70-55(52-69-72(64,65)68-50-54(58)49-67-71(61,62)63)51-66-56(59)47-44-41-38-35-33-30-31-34-37-40-43-46-53(2)3/h8-9,11-12,14-15,17-18,20-21,53-55,58H,4-7,10,13,16,19,22-52H2,1-3H3,(H,64,65)(H2,61,62,63)/p-3/b9-8-,12-11-,15-14-,18-17-,21-20-/t54-,55+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C57H104O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36-39-42-45-48-57(60)70-55(52-69-72(64,65)68-50-54(58)49-67-71(61,62)63)51-66-56(59)47-44-41-38-35-33-30-31-34-37-40-43-46-53(2)3/h8-9,11-12,14-15,17-18,20-21,53-55,58H,4-7,10,13,16,19,22-52H2,1-3H3,(H,64,65)(H2,61,62,63)/b9-8-,12-11-,15-14-,18-17-,21-20-/t54-,55+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:32][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:57](=[O:60])[O:70][C@H:55]([CH2:51][O:66][C:56]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH:53]([CH3:2])[CH3:3])=[O:59])[CH2:52][O:69][P:72]([OH:64])(=[O:65])[O:68][CH2:50][C@H:54]([CH2:49][O:67][P:71]([OH:61])([OH:62])=[O:63])[OH:58] |
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