| Properties | Image |
|---|
| MNX_ID | MNXM193506 |
 |
| reference | slm:000464906 |
| formula | C69H110O19P3 |
| global charge | -5 |
| mol weight | 1336.542 |
| InChIKey | CPDHGAIFQSVGTQ-SSZDMCSISA-I |
| InChI | InChI=1S/C69H115O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-63(71)85-61(60-84-91(81,82)88-67-64(72)65(73)68(86-89(75,76)77)69(66(67)74)87-90(78,79)80)59-83-62(70)57-55-53-51-49-47-45-43-41-39-37-35-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28-29,31-32,37,39,61,64-69,72-74H,3-4,9-10,15-16,21-22,27,30,33-36,38,40-60H2,1-2H3,(H,81,82)(H2,75,76,77)(H2,78,79,80)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,39-37-/t61-,64-,65+,66+,67-,68-,69-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C69H115O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-63(71)85-61(60-84-91(81,82)88-67-64(72)65(73)68(86-89(75,76)77)69(66(67)74)87-90(78,79)80)59-83-62(70)57-55-53-51-49-47-45-43-41-39-37-35-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28-29,31-32,37,39,61,64-69,72-74H,3-4,9-10,15-16,21-22,27,30,33-36,38,40-60H2,1-2H3,(H,81,82)(H2,75,76,77)(H2,78,79,80)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,39-37-/t61-,64-,65+,66+,67-,68-,69-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:63](=[O:71])[O:85][C@H:61]([CH2:59][O:83][C:62]([CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:35]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:70])[CH2:60][O:84][P:91]([OH:81])(=[O:82])[O:88][C@@H:67]1[C@H:64]([OH:72])[C@H:65]([OH:73])[C@@H:68]([O:86][P:89]([OH:75])([OH:76])=[O:77])[C@H:69]([O:87][P:90]([OH:78])([OH:79])=[O:80])[C@H:66]1[OH:74] |
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