| Properties | Image |
|---|
| MNX_ID | MNXM217649 |
 |
| reference | slm:000440126 |
| formula | C57H91O22P4 |
| global charge | -7 |
| mol weight | 1252.229 |
| InChIKey | JOGDBLZXURQPSX-PGTXLOOSSA-G |
| InChI | InChI=1S/C57H98O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(58)73-47-49(75-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2)48-74-83(71,72)79-54-52(60)55(76-80(62,63)64)57(78-82(68,69)70)56(53(54)61)77-81(65,66)67/h6,8,11-14,17-20,22-23,25-26,32,34,49,52-57,60-61H,3-5,7,9-10,15-16,21,24,27-31,33,35-48H2,1-2H3,(H,71,72)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70)/p-7/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-/t49-,52+,53+,54-,55+,56-,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/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](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C57H98O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(58)73-47-49(75-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2)48-74-83(71,72)79-54-52(60)55(76-80(62,63)64)57(78-82(68,69)70)56(53(54)61)77-81(65,66)67/h6,8,11-14,17-20,22-23,25-26,32,34,49,52-57,60-61H,3-5,7,9-10,15-16,21,24,27-31,33,35-48H2,1-2H3,(H,71,72)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70)/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-/t49-,52+,53+,54-,55+,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:73][CH2:47][C@H:49]([CH2:48][O:74][P:83]([OH:71])(=[O:72])[O:79][C@@H:54]1[C@H:52]([OH:60])[C@H:55]([O:76][P:80]([OH:62])([OH:63])=[O:64])[C@@H:57]([O:78][P:82]([OH:68])([OH:69])=[O:70])[C@H:56]([O:77][P:81]([OH:65])([OH:66])=[O:67])[C@H:53]1[OH:61])[O:75][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59] |
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