| Properties | Image |
|---|
| MNX_ID | MNXM217174 |
 |
| reference | slm:000427302 |
| formula | C69H112O19P3 |
| global charge | -5 |
| mol weight | 1338.558 |
| InChIKey | IRRLDQZQRYJDPO-CXSSNASDSA-I |
| InChI | InChI=1S/C69H117O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-63(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)57-55-53-51-49-47-45-43-41-39-37-35-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-30,32-35,61,64-69,72-74H,3-4,6,8-10,15-16,21-22,27-28,31,36-60H2,1-2H3,(H,81,82)(H2,75,76,77)(H2,78,79,80)/p-5/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-32-,35-33-/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\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C69H117O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-63(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)57-55-53-51-49-47-45-43-41-39-37-35-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-30,32-35,61,64-69,72-74H,3-4,6,8-10,15-16,21-22,27-28,31,36-60H2,1-2H3,(H,81,82)(H2,75,76,77)(H2,78,79,80)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-32-,35-33-/t61-,64-,65-,66+,67+,68+,69+/m1/s1 |
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| 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:29]=[CH:30]\[CH2:31]/[CH:32]=[CH: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][CH2:39][CH2:37]/[CH:35]=[CH:33]\[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: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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