| Properties | Image |
|---|
| MNX_ID | MNXM886554 |
 |
| reference | slm:000577969 |
| formula | C85H142O17P2 |
| global charge | -2 |
| mol weight | 1498.002 |
| InChIKey | HCSJEAMJWGBCCV-BEDRLMBWSA-L |
| InChI | InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-39-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-37,39,41-43,46-47,50,58,62,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,38,40,44-45,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/p-2/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,41-39-,42-35-,46-43-,50-47-,62-58-/t79?,80-,81-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-39-41-44-47-50-54-58-62-66-70-83(88)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-42-35-31-27-23-19-15-11-7-3)76-96-82(87)69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,28,32-37,39,41-43,46-47,50,58,62,79-81,86H,5-8,10-12,14-20,23-24,27,29-31,38,40,44-45,48-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,32-28-,36-33-,37-34-,41-39-,42-35-,46-43-,50-47-,62-58-/t79?,80-,81-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:39]=[CH:41]\[CH2:44]/[CH:47]=[CH:50]\[CH2:54]/[CH:58]=[CH:62]\[CH2:66][CH2:70][C:83](=[O:88])[O:95][CH2:75][C@H:80]([CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][CH:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:76][O:96][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:87])[O:102][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48]/[CH:42]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:90])[OH:86])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:45]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89] |
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