| Properties | Image |
|---|
| MNX_ID | MNXM180397 |
 |
| reference | slm:000438950 |
| formula | C55H89O22P4 |
| global charge | -7 |
| mol weight | 1226.191 |
| InChIKey | KFPLDUOZLRQJLG-SZUMAXLXSA-G |
| InChI | InChI=1S/C55H96O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)71-45-47(73-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h5,7,11,13,17-19,21-22,24-25,27-29,47,50-55,58-59H,3-4,6,8-10,12,14-16,20,23,26,30-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/p-7/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-,29-18-/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\CCCCCCCCC(=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)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)71-45-47(73-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h5,7,11,13,17-19,21-22,24-25,27-29,47,50-55,58-59H,3-4,6,8-10,12,14-16,20,23,26,30-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-,29-18-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
 |
| 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]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:71][CH2:45][C@H:47]([CH2:46][O:72][P:81]([OH:69])(=[O:70])[O:77][C@@H:52]1[C@H:50]([OH:58])[C@H:53]([O:74][P:78]([OH:60])([OH:61])=[O:62])[C@@H:55]([O:76][P:80]([OH:66])([OH:67])=[O:68])[C@H:54]([O:75][P:79]([OH:63])([OH:64])=[O:65])[C@H:51]1[OH:59])[O:73][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:29]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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