| Properties | Image |
|---|
| MNX_ID | MNXM179821 |
 |
| reference | slm:000470906 |
| formula | C51H87O13P2 |
| global charge | -3 |
| mol weight | 970.192 |
| InChIKey | CTZZADWAKIUJFU-IZQIPAIMSA-K |
| InChI | InChI=1S/C51H90O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-38-41-50(53)60-45-49(46-63-66(58,59)62-44-48(52)43-61-65(55,56)57)64-51(54)42-39-36-33-30-27-24-25-28-31-34-37-40-47(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,47-49,52H,4,7,10,13,16,19,22-46H2,1-3H3,(H,58,59)(H2,55,56,57)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t48-,49+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C51H90O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-38-41-50(53)60-45-49(46-63-66(58,59)62-44-48(52)43-61-65(55,56)57)64-51(54)42-39-36-33-30-27-24-25-28-31-34-37-40-47(2)3/h5-6,8-9,11-12,14-15,17-18,20-21,47-49,52H,4,7,10,13,16,19,22-46H2,1-3H3,(H,58,59)(H2,55,56,57)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t48-,49+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH: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:50](=[O:53])[O:60][CH2:45][C@H:49]([CH2:46][O:63][P:66]([OH:58])(=[O:59])[O:62][CH2:44][C@H:48]([CH2:43][O:61][P:65]([OH:55])([OH:56])=[O:57])[OH:52])[O:64][C:51]([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:47]([CH3:2])[CH3:3])=[O:54] |
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