| Properties | Image |
|---|
| MNX_ID | MNXM196664 |
 |
| reference | slm:000439479 |
| formula | C67H113O22P4 |
| global charge | -7 |
| mol weight | 1394.515 |
| InChIKey | ZIQYPWXAVOHBNB-LILZBKJGSA-G |
| InChI | InChI=1S/C67H120O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(69)85-59(57-83-60(68)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2)58-84-93(81,82)89-64-62(70)65(86-90(72,73)74)67(88-92(78,79)80)66(63(64)71)87-91(75,76)77/h6,8,11-14,17-20,22-23,25-26,59,62-67,70-71H,3-5,7,9-10,15-16,21,24,27-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/p-7/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t59-,62+,63+,64-,65+,66-,67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H120O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(69)85-59(57-83-60(68)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2)58-84-93(81,82)89-64-62(70)65(86-90(72,73)74)67(88-92(78,79)80)66(63(64)71)87-91(75,76)77/h6,8,11-14,17-20,22-23,25-26,59,62-67,70-71H,3-5,7,9-10,15-16,21,24,27-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t59-,62+,63+,64-,65+,66-,67-/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][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:61](=[O:69])[O:85][C@H:59]([CH2:57][O:83][C:60]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:68])[CH2:58][O:84][P:93]([OH:81])(=[O:82])[O:89][C@@H:64]1[C@H:62]([OH:70])[C@H:65]([O:86][P:90]([OH:72])([OH:73])=[O:74])[C@@H:67]([O:88][P:92]([OH:78])([OH:79])=[O:80])[C@H:66]([O:87][P:91]([OH:75])([OH:76])=[O:77])[C@H:63]1[OH:71] |
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