| Properties | Image |
|---|
| MNX_ID | MNXM833218 |
 |
| reference | slm:000522946 |
| formula | C89H152O17P2 |
| global charge | -2 |
| mol weight | 1556.126 |
| InChIKey | SAMRHTKRDXHLNN-CNISZWOMSA-L |
| InChI | InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-35,37-39,41,44,46,50,52,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,40,42-43,45,47-49,51,53-55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/p-2/b13-9-,25-21-,26-22-,37-33-,38-34-,39-35-,44-41-,50-46-,56-52-,68-64-/t83?,84-,85-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-35,37-39,41,44,46,50,52,56,64,68,83-85,90H,5-8,10-12,14-20,23-24,27-32,36,40,42-43,45,47-49,51,53-55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,37-33-,38-34-,39-35-,44-41-,50-46-,56-52-,68-64-/t83?,84-,85-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:40]/[CH:41]=[CH:44]\[CH2:48]/[CH:52]=[CH:56]\[CH2:60]/[CH:64]=[CH:68]\[CH2:72][CH2:76][C:89](=[O:94])[O:106][C@H:85]([CH2:80][O:100][C:87]([CH2:74][CH2:70][CH2:66][CH2:62][CH2:58][CH2:54]/[CH:50]=[CH:46]\[CH2:42]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:92])[CH2:82][O:104][P:108]([OH:97])(=[O:98])[O:102][CH2:78][CH:83]([CH2:77][O:101][P:107]([OH:95])(=[O:96])[O:103][CH2:81][C@@H:84]([CH2:79][O:99][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:91])[O:105][C:88]([CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43]/[CH:39]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:93])[OH:90] |
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