| Properties | Image |
|---|
| MNX_ID | MNXM211012 |
 |
| reference | slm:000439855 |
| formula | C67H107O22P4 |
| global charge | -7 |
| mol weight | 1388.467 |
| InChIKey | YURFCRAUCAUKOX-GHIVWNMZSA-G |
| InChI | InChI=1S/C67H114O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)83-57-59(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)85-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-31,33-35,59,62-67,70-71H,3-5,7,9-10,15-16,21-22,27-28,32,36-58H2,1-2H3,(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-,25-23-,26-24-,30-29-,34-31-,35-33-/t59-,62+,63+,64-,65+,66-,67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC/C=C\C/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/C67H114O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)83-57-59(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)85-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-31,33-35,59,62-67,70-71H,3-5,7,9-10,15-16,21-22,27-28,32,36-58H2,1-2H3,(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-,25-23-,26-24-,30-29-,34-31-,35-33-/t59-,62+,63+,64-,65+,66-,67-/m1/s1 |
 |
| 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:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:83][CH2:57][C@H:59]([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])[O:85][C:61]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:69] |
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