| Properties | Image |
|---|
| MNX_ID | MNXM364321 |
 |
| reference | slm:000494110 |
| formula | C71H126O19P3 |
| global charge | -5 |
| mol weight | 1376.692 |
| InChIKey | ZSZAPAJPTJBWNS-CBIQRDJWSA-I |
| InChI | InChI=1S/C71H131O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)87-63(62-86-93(83,84)90-71-67(75)69(88-91(77,78)79)66(74)70(68(71)76)89-92(80,81)82)61-85-64(72)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28-29,31-32,63,66-71,74-76H,3-10,12,14-16,18,20-22,24,26-27,30,33-62H2,1-2H3,(H,83,84)(H2,77,78,79)(H2,80,81,82)/p-5/b13-11-,19-17-,25-23-,29-28-,32-31-/t63-,66-,67-,68-,69-,70+,71-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C71H131O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)87-63(62-86-93(83,84)90-71-67(75)69(88-91(77,78)79)66(74)70(68(71)76)89-92(80,81)82)61-85-64(72)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28-29,31-32,63,66-71,74-76H,3-10,12,14-16,18,20-22,24,26-27,30,33-62H2,1-2H3,(H,83,84)(H2,77,78,79)(H2,80,81,82)/b13-11-,19-17-,25-23-,29-28-,32-31-/t63-,66-,67-,68-,69-,70+,71-/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:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][C:65](=[O:73])[O:87][C@H:63]([CH2:61][O:85][C:64]([CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:72])[CH2:62][O:86][P:93]([OH:83])(=[O:84])[O:90][C@@H:71]1[C@H:67]([OH:75])[C@H:69]([O:88][P:91]([OH:77])([OH:78])=[O:79])[C@@H:66]([OH:74])[C@H:70]([O:89][P:92]([OH:80])([OH:81])=[O:82])[C@H:68]1[OH:76] |
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