| Properties | Image |
|---|
| MNX_ID | MNXM231102 |
 |
| reference | slm:000446873 |
| formula | C67H106O19P3 |
| global charge | -5 |
| mol weight | 1308.488 |
| InChIKey | UMDIEKVJTFODBZ-AICTVKOZSA-I |
| InChI | InChI=1S/C67H111O19P3/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)81-57-59(58-82-89(79,80)86-67-63(71)65(84-87(73,74)75)62(70)66(64(67)72)85-88(76,77)78)83-61(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/h5-8,11-14,17-20,23-26,29-31,34,38,40,59,62-67,70-72H,3-4,9-10,15-16,21-22,27-28,32-33,35-37,39,41-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-,40-38-/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\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C67H111O19P3/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)81-57-59(58-82-89(79,80)86-67-63(71)65(84-87(73,74)75)62(70)66(64(67)72)85-88(76,77)78)83-61(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/h5-8,11-14,17-20,23-26,29-31,34,38,40,59,62-67,70-72H,3-4,9-10,15-16,21-22,27-28,32-33,35-37,39,41-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-,40-38-/t59-,62-,63-,64-,65-,66+,67-/m1/s1 |
 |
| 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:30]\[CH2:32][CH2:33][CH2:35][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:81][CH2:57][C@H:59]([CH2:58][O:82][P:89]([OH:79])(=[O:80])[O:86][C@@H:67]1[C@H:63]([OH:71])[C@H:65]([O:84][P:87]([OH:73])([OH:74])=[O:75])[C@@H:62]([OH:70])[C@H:66]([O:85][P:88]([OH:76])([OH:77])=[O:78])[C@H:64]1[OH:72])[O:83][C:61]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH: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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