| Properties | Image |
|---|
| MNX_ID | MNXM226861 |
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| reference | slm:000497793 |
| formula | C64H105O13P2 |
| global charge | -3 |
| mol weight | 1144.479 |
| InChIKey | NYZSZSDOOJIBEW-QKQKXRGZSA-K |
| InChI | InChI=1S/C64H108O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-55-63(66)73-59-62(60-76-79(71,72)75-58-61(65)57-74-78(68,69)70)77-64(67)56-54-52-50-48-46-44-42-40-38-36-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,28-29,31-32,36,38,42,44,61-62,65H,3-10,15-16,21-22,27,30,33-35,37,39-41,43,45-60H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,38-36-,44-42-/t61-,62+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H108O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-55-63(66)73-59-62(60-76-79(71,72)75-58-61(65)57-74-78(68,69)70)77-64(67)56-54-52-50-48-46-44-42-40-38-36-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,28-29,31-32,36,38,42,44,61-62,65H,3-10,15-16,21-22,27,30,33-35,37,39-41,43,45-60H2,1-2H3,(H,71,72)(H2,68,69,70)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,38-36-,44-42-/t61-,62+/m0/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:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:63](=[O:66])[O:73][CH2:59][C@H:62]([CH2:60][O:76][P:79]([OH:71])(=[O:72])[O:75][CH2:58][C@H:61]([CH2:57][O:74][P:78]([OH:68])([OH:69])=[O:70])[OH:65])[O:77][C:64]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:36]\[CH2:33]/[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:67] |
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