| Properties | Image |
|---|
| MNX_ID | MNXM175411 |
 |
| reference | slm:000449986 |
| formula | C85H144O19P3 |
| global charge | -5 |
| mol weight | 1562.99 |
| InChIKey | WJFIFRWTSFMTEQ-WVOCPLCHSA-I |
| InChI | InChI=1S/C85H149O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-78(86)99-75-77(76-100-107(97,98)104-85-81(89)83(102-105(91,92)93)80(88)84(82(85)90)103-106(94,95)96)101-79(87)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,77,80-85,88-90H,3-4,9-10,15-16,21-22,27-28,33-76H2,1-2H3,(H,97,98)(H2,91,92,93)(H2,94,95,96)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t77-,80-,81-,82-,83-,84+,85-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C85H149O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-78(86)99-75-77(76-100-107(97,98)104-85-81(89)83(102-105(91,92)93)80(88)84(82(85)90)103-106(94,95)96)101-79(87)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,77,80-85,88-90H,3-4,9-10,15-16,21-22,27-28,33-76H2,1-2H3,(H,97,98)(H2,91,92,93)(H2,94,95,96)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t77-,80-,81-,82-,83-,84+,85-/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:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:67][CH2:69][CH2:71][CH2:73][C:78](=[O:86])[O:99][CH2:75][C@H:77]([CH2:76][O:100][P:107]([OH:97])(=[O:98])[O:104][C@@H:85]1[C@H:81]([OH:89])[C@H:83]([O:102][P:105]([OH:91])([OH:92])=[O:93])[C@@H:80]([OH:88])[C@H:84]([O:103][P:106]([OH:94])([OH:95])=[O:96])[C@H:82]1[OH:90])[O:101][C:79]([CH2:74][CH2:72][CH2:70][CH2:68][CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[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:87] |
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