| Properties | Image |
|---|
| MNX_ID | MNXM174806 |
 |
| reference | slm:000449966 |
| formula | C69H112O19P3 |
| global charge | -5 |
| mol weight | 1338.558 |
| InChIKey | OMKFQTJJJNSPNM-FZFZLWAWSA-I |
| InChI | InChI=1S/C69H117O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-62(70)83-59-61(60-84-91(81,82)88-69-65(73)67(86-89(75,76)77)64(72)68(66(69)74)87-90(78,79)80)85-63(71)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/h11-14,17-20,23-26,29-32,35-38,61,64-69,72-74H,3-10,15-16,21-22,27-28,33-34,39-60H2,1-2H3,(H,81,82)(H2,75,76,77)(H2,78,79,80)/p-5/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t61-,64-,65-,66-,67-,68+,69-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H117O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-62(70)83-59-61(60-84-91(81,82)88-69-65(73)67(86-89(75,76)77)64(72)68(66(69)74)87-90(78,79)80)85-63(71)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/h11-14,17-20,23-26,29-32,35-38,61,64-69,72-74H,3-10,15-16,21-22,27-28,33-34,39-60H2,1-2H3,(H,81,82)(H2,75,76,77)(H2,78,79,80)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t61-,64-,65-,66-,67-,68+,69-/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][C:62](=[O:70])[O:83][CH2:59][C@H:61]([CH2:60][O:84][P:91]([OH:81])(=[O:82])[O:88][C@@H:69]1[C@H:65]([OH:73])[C@H:67]([O:86][P:89]([OH:75])([OH:76])=[O:77])[C@@H:64]([OH:72])[C@H:68]([O:87][P:90]([OH:78])([OH:79])=[O:80])[C@H:66]1[OH:74])[O:85][C:63]([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:71] |
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