| Properties | Image |
|---|
| MNX_ID | MNXM233220 |
 |
| reference | slm:000440617 |
| formula | C60H105O22P4 |
| global charge | -7 |
| mol weight | 1302.374 |
| InChIKey | GJVWMCULAIWLIO-FENBJXKDSA-G |
| InChI | InChI=1S/C60H112O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-53(61)76-50-52(78-54(62)49-47-45-43-41-39-37-35-32-22-20-18-16-14-12-10-8-6-4-2)51-77-86(74,75)82-57-55(63)58(79-83(65,66)67)60(81-85(71,72)73)59(56(57)64)80-84(68,69)70/h11,13,17,19,23-24,26-27,52,55-60,63-64H,3-10,12,14-16,18,20-22,25,28-51H2,1-2H3,(H,74,75)(H2,65,66,67)(H2,68,69,70)(H2,71,72,73)/p-7/b13-11-,19-17-,24-23-,27-26-/t52-,55+,56+,57-,58+,59-,60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H112O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-53(61)76-50-52(78-54(62)49-47-45-43-41-39-37-35-32-22-20-18-16-14-12-10-8-6-4-2)51-77-86(74,75)82-57-55(63)58(79-83(65,66)67)60(81-85(71,72)73)59(56(57)64)80-84(68,69)70/h11,13,17,19,23-24,26-27,52,55-60,63-64H,3-10,12,14-16,18,20-22,25,28-51H2,1-2H3,(H,74,75)(H2,65,66,67)(H2,68,69,70)(H2,71,72,73)/b13-11-,19-17-,24-23-,27-26-/t52-,55+,56+,57-,58+,59-,60-/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:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:76][CH2:50][C@H:52]([CH2:51][O:77][P:86]([OH:74])(=[O:75])[O:82][C@@H:57]1[C@H:55]([OH:63])[C@H:58]([O:79][P:83]([OH:65])([OH:66])=[O:67])[C@@H:60]([O:81][P:85]([OH:71])([OH:72])=[O:73])[C@H:59]([O:80][P:84]([OH:68])([OH:69])=[O:70])[C@H:56]1[OH:64])[O:78][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62] |
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