| Properties | Image |
|---|
| MNX_ID | MNXM175325 |
 |
| reference | slm:000493390 |
| formula | C81H135O22P4 |
| global charge | -7 |
| mol weight | 1584.845 |
| InChIKey | GTNRBQZXVQEKNC-DXBFXZHQSA-G |
| InChI | InChI=1S/C81H142O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-74(82)97-71-73(72-98-107(95,96)103-78-76(84)79(100-104(86,87)88)81(102-106(92,93)94)80(77(78)85)101-105(89,90)91)99-75(83)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/h11-14,17-20,23-26,29-32,35-38,73,76-81,84-85H,3-10,15-16,21-22,27-28,33-34,39-72H2,1-2H3,(H,95,96)(H2,86,87,88)(H2,89,90,91)(H2,92,93,94)/p-7/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t73-,76+,77+,78-,79+,80-,81-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H142O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-74(82)97-71-73(72-98-107(95,96)103-78-76(84)79(100-104(86,87)88)81(102-106(92,93)94)80(77(78)85)101-105(89,90)91)99-75(83)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/h11-14,17-20,23-26,29-32,35-38,73,76-81,84-85H,3-10,15-16,21-22,27-28,33-34,39-72H2,1-2H3,(H,95,96)(H2,86,87,88)(H2,89,90,91)(H2,92,93,94)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t73-,76+,77+,78-,79+,80-,81-/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][C:74](=[O:82])[O:97][CH2:71][C@H:73]([CH2:72][O:98][P:107]([OH:95])(=[O:96])[O:103][C@@H:78]1[C@H:76]([OH:84])[C@H:79]([O:100][P:104]([OH:86])([OH:87])=[O:88])[C@@H:81]([O:102][P:106]([OH:92])([OH:93])=[O:94])[C@H:80]([O:101][P:105]([OH:89])([OH:90])=[O:91])[C@H:77]1[OH:85])[O:99][C:75]([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:83] |
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