| Properties | Image |
|---|
| MNX_ID | MNXM296251 |
 |
| reference | slm:000448886 |
| formula | C55H84O19P3 |
| global charge | -5 |
| mol weight | 1142.18 |
| InChIKey | OHZYOXBZLDFZPP-YRWZRANVSA-I |
| InChI | InChI=1S/C55H89O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)71-47(45-69-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)46-70-77(67,68)74-55-51(59)53(72-75(61,62)63)50(58)54(52(55)60)73-76(64,65)66/h5,7,11-14,17-20,23-25,27-28,30-31,33-34,36,47,50-55,58-60H,3-4,6,8-10,15-16,21-22,26,29,32,35,37-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/p-5/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,33-31-,36-34-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H89O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)71-47(45-69-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)46-70-77(67,68)74-55-51(59)53(72-75(61,62)63)50(58)54(52(55)60)73-76(64,65)66/h5,7,11-14,17-20,23-25,27-28,30-31,33-34,36,47,50-55,58-60H,3-4,6,8-10,15-16,21-22,26,29,32,35,37-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,33-31-,36-34-/t47-,50-,51-,52-,53-,54+,55-/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]\[CH2:21]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:71][C@H:47]([CH2:45][O:69][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:46][O:70][P:77]([OH:67])(=[O:68])[O:74][C@@H:55]1[C@H:51]([OH:59])[C@H:53]([O:72][P:75]([OH:61])([OH:62])=[O:63])[C@@H:50]([OH:58])[C@H:54]([O:73][P:76]([OH:64])([OH:65])=[O:66])[C@H:52]1[OH:60] |
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