| Properties | Image |
|---|
| MNX_ID | MNXM883506 |
 |
| reference | slm:000574658 |
| formula | C85H140O17P2 |
| global charge | -2 |
| mol weight | 1495.986 |
| InChIKey | GQODFDGRZRWXES-SAMRZFKVSA-L |
| InChI | InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,12-13,16,21-22,24-28,31,33-34,36-37,39-41,43,46,49-50,53,79-81,86H,5-8,10-11,14-15,17-20,23,29-30,32,35,38,42,44-45,47-48,51-52,54-78H2,1-4H3,(H,91,92)(H,93,94)/p-2/b13-9-,16-12-,25-21-,26-22-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,53-49-/t79?,80-,81-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C85H142O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,12-13,16,21-22,24-28,31,33-34,36-37,39-41,43,46,49-50,53,79-81,86H,5-8,10-11,14-15,17-20,23,29-30,32,35,38,42,44-45,47-48,51-52,54-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,16-12-,25-21-,26-22-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,53-49-/t79?,80-,81-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:38]/[CH:39]=[CH:40]\[CH2:44]/[CH:46]=[CH:50]\[CH2:54][CH2:58][CH2:62][CH2:66][CH2:70][C:83](=[O:88])[O:96][CH2:76][C@H:81]([CH2:78][O:100][P:104]([OH:93])(=[O:94])[O:98][CH2:74][CH:79]([CH2:73][O:97][P:103]([OH:91])(=[O:92])[O:99][CH2:77][C@@H:80]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57]/[CH:53]=[CH:49]\[CH2:45]/[CH:41]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:87])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:42][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:89])[OH:86])[O:102][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48]/[CH:43]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20]/[CH:16]=[CH:12]\[CH2:8][CH3:4])=[O:90] |
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