| Properties | Image |
|---|
| MNX_ID | MNXM175366 |
 |
| reference | slm:000494055 |
| formula | C85H146O13P |
| global charge | -1 |
| mol weight | 1407.064 |
| InChIKey | NXZROONXDFGLES-CXXBWRRDSA-M |
| InChI | InChI=1S/C85H147O13P/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)95-75-77(76-96-99(93,94)98-85-83(91)81(89)80(88)82(90)84(85)92)97-79(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/h11-14,17-20,23-26,29-32,35-38,77,80-85,88-92H,3-10,15-16,21-22,27-28,33-34,39-76H2,1-2H3,(H,93,94)/p-1/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t77-,80-,81-,82+,83-,84-,85-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H147O13P/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)95-75-77(76-96-99(93,94)98-85-83(91)81(89)80(88)82(90)84(85)92)97-79(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/h11-14,17-20,23-26,29-32,35-38,77,80-85,88-92H,3-10,15-16,21-22,27-28,33-34,39-76H2,1-2H3,(H,93,94)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t77-,80-,81-,82+,83-,84-,85-/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:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH: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:95][CH2:75][C@H:77]([CH2:76][O:96][P:99]([OH:93])(=[O:94])[O:98][C@@H:85]1[C@H:83]([OH:91])[C@H:81]([OH:89])[C@@H:80]([OH:88])[C@H:82]([OH:90])[C@H:84]1[OH:92])[O:97][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]/[CH:38]=[CH: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][CH2:8][CH2:6][CH2:4][CH3:2])=[O:87] |
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