| Properties | Image |
|---|
| MNX_ID | MNXM210628 |
 |
| reference | slm:000439828 |
| formula | C56H93O22P4 |
| global charge | -7 |
| mol weight | 1242.234 |
| InChIKey | NZSDJBRJYIIIHU-PLNPRJPUSA-G |
| InChI | InChI=1S/C56H100O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-49(57)72-46-48(74-50(58)45-43-41-39-37-35-32-18-16-14-12-10-8-6-4-2)47-73-82(70,71)78-53-51(59)54(75-79(61,62)63)56(77-81(67,68)69)55(52(53)60)76-80(64,65)66/h5,7,11,13,17,19,21-22,24-25,27-28,48,51-56,59-60H,3-4,6,8-10,12,14-16,18,20,23,26,29-47H2,1-2H3,(H,70,71)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)/p-7/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t48-,51+,52+,53-,54+,55-,56-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H100O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-49(57)72-46-48(74-50(58)45-43-41-39-37-35-32-18-16-14-12-10-8-6-4-2)47-73-82(70,71)78-53-51(59)54(75-79(61,62)63)56(77-81(67,68)69)55(52(53)60)76-80(64,65)66/h5,7,11,13,17,19,21-22,24-25,27-28,48,51-56,59-60H,3-4,6,8-10,12,14-16,18,20,23,26,29-47H2,1-2H3,(H,70,71)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t48-,51+,52+,53-,54+,55-,56-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:72][CH2:46][C@H:48]([CH2:47][O:73][P:82]([OH:70])(=[O:71])[O:78][C@@H:53]1[C@H:51]([OH:59])[C@H:54]([O:75][P:79]([OH:61])([OH:62])=[O:63])[C@@H:56]([O:77][P:81]([OH:67])([OH:68])=[O:69])[C@H:55]([O:76][P:80]([OH:64])([OH:65])=[O:66])[C@H:52]1[OH:60])[O:74][C:50]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58] |
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