| Properties | Image |
|---|
| MNX_ID | MNXM232758 |
 |
| reference | slm:000440584 |
| formula | C77H129O22P4 |
| global charge | -7 |
| mol weight | 1530.753 |
| InChIKey | LGWXAQBEEAUGKW-VXLQLULQSA-G |
| InChI | InChI=1S/C77H136O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-71(79)95-69(68-94-103(91,92)99-74-72(80)75(96-100(82,83)84)77(98-102(88,89)90)76(73(74)81)97-101(85,86)87)67-93-70(78)65-63-61-59-57-55-53-51-49-47-45-43-41-39-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,39,69,72-77,80-81H,3-4,6,8-10,15-16,21-22,27-28,32-38,40-68H2,1-2H3,(H,91,92)(H2,82,83,84)(H2,85,86,87)(H2,88,89,90)/p-7/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,39-30-/t69-,72+,73+,74-,75+,76-,77-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/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/C77H136O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-71(79)95-69(68-94-103(91,92)99-74-72(80)75(96-100(82,83)84)77(98-102(88,89)90)76(73(74)81)97-101(85,86)87)67-93-70(78)65-63-61-59-57-55-53-51-49-47-45-43-41-39-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,39,69,72-77,80-81H,3-4,6,8-10,15-16,21-22,27-28,32-38,40-68H2,1-2H3,(H,91,92)(H2,82,83,84)(H2,85,86,87)(H2,88,89,90)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,39-30-/t69-,72+,73+,74-,75+,76-,77-/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:25]\[CH2:27]/[CH:29]=[CH: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][CH2:58][CH2:60][CH2:62][CH2:64][CH2:66][C:71](=[O:79])[O:95][C@H:69]([CH2:67][O:93][C:70]([CH2:65][CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:78])[CH2:68][O:94][P:103]([OH:91])(=[O:92])[O:99][C@@H:74]1[C@H:72]([OH:80])[C@H:75]([O:96][P:100]([OH:82])([OH:83])=[O:84])[C@@H:77]([O:98][P:102]([OH:88])([OH:89])=[O:90])[C@H:76]([O:97][P:101]([OH:85])([OH:86])=[O:87])[C@H:73]1[OH:81] |
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