| Properties | Image |
|---|
| MNX_ID | MNXM1106670 |
 |
| reference | slm:000587600 |
| formula | C83H140O17P2 |
| global charge | -2 |
| mol weight | 1471.964 |
| InChIKey | DOICFXVYLQYEGC-BTLSTJJOSA-L |
| InChI | InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,27,29-31,38-39,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/p-2/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCC/C=C\C/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/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,28,32-37,40-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,27,29-31,38-39,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,40-35-,44-41-,45-42-,55-51-,56-52-/t77?,78-,79-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47]/[CH:51]=[CH:55]\[CH2:59][CH2:63][CH2:67][C:80](=[O:85])[O:93][CH2:73][C@H:78]([CH2:75][O:97][P:101]([OH:89])(=[O:90])[O:95][CH2:71][CH:77]([CH2:72][O:96][P:102]([OH:91])(=[O:92])[O:98][CH2:76][C@@H:79]([CH2:74][O:94][C:81]([CH2:68][CH2:64][CH2:60]/[CH:56]=[CH:52]\[CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:86])[O:100][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46]/[CH:40]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:88])[OH:84])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:43]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:87] |
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