| Properties | Image |
|---|
| MNX_ID | MNXM180990 |
 |
| reference | slm:000014317 |
| formula | C54H94O13P |
| global charge | -1 |
| mol weight | 982.307 |
| InChIKey | GBPVZGOHYPTCLQ-FJRBIPRWSA-M |
| InChI | InChI=1S/C54H95O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-38-41-47(55)64-43-46(44-65-68(62,63)67-54-52(60)50(58)49(57)51(59)53(54)61)66-48(56)42-39-36-33-30-27-24-25-28-31-34-37-40-45(2)3/h8-9,11-12,14-15,17-18,20-21,45-46,49-54,57-61H,4-7,10,13,16,19,22-44H2,1-3H3,(H,62,63)/p-1/b9-8-,12-11-,15-14-,18-17-,21-20-/t46-,49-,50-,51+,52-,53-,54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H95O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-38-41-47(55)64-43-46(44-65-68(62,63)67-54-52(60)50(58)49(57)51(59)53(54)61)66-48(56)42-39-36-33-30-27-24-25-28-31-34-37-40-45(2)3/h8-9,11-12,14-15,17-18,20-21,45-46,49-54,57-61H,4-7,10,13,16,19,22-44H2,1-3H3,(H,62,63)/b9-8-,12-11-,15-14-,18-17-,21-20-/t46-,49-,50-,51+,52-,53-,54-/m1/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][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:55])[O:64][CH2:43][C@H:46]([CH2:44][O:65][P:68]([OH:62])(=[O:63])[O:67][C@@H:54]1[C@H:52]([OH:60])[C@H:50]([OH:58])[C@@H:49]([OH:57])[C@H:51]([OH:59])[C@H:53]1[OH:61])[O:66][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH:45]([CH3:2])[CH3:3])=[O:56] |
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