| Properties | Image |
|---|
| MNX_ID | MNXM179927 |
 |
| reference | slm:000432524 |
| formula | C69H113O16P2 |
| global charge | -3 |
| mol weight | 1260.595 |
| InChIKey | YPNCMPIFRHYNSU-OCKKFZDJSA-K |
| InChI | InChI=1S/C69H116O16P2/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)83-61(60-82-87(79,80)85-69-66(74)64(72)65(73)68(67(69)75)84-86(76,77)78)59-81-62(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/h6,8,11-14,17-20,23-26,29-30,33,35,39,41,61,64-69,72-75H,3-5,7,9-10,15-16,21-22,27-28,31-32,34,36-38,40,42-60H2,1-2H3,(H,79,80)(H2,76,77,78)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,35-33-,41-39-/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\CCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116O16P2/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)83-61(60-82-87(79,80)85-69-66(74)64(72)65(73)68(67(69)75)84-86(76,77)78)59-81-62(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/h6,8,11-14,17-20,23-26,29-30,33,35,39,41,61,64-69,72-75H,3-5,7,9-10,15-16,21-22,27-28,31-32,34,36-38,40,42-60H2,1-2H3,(H,79,80)(H2,76,77,78)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,35-33-,41-39-/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:30]\[CH2:31][CH2:32][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:83][C@H:61]([CH2:59][O:81][C:62]([CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH: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]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:70])[CH2:60][O:82][P:87]([OH:79])(=[O:80])[O:85][C@@H:69]1[C@H:66]([OH:74])[C@H:64]([OH:72])[C@@H:65]([OH:73])[C@H:68]([O:84][P:86]([OH:76])([OH:77])=[O:78])[C@H:67]1[OH:75] |
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