| Properties | Image |
|---|
| MNX_ID | MNXM363264 |
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| reference | slm:000457065 |
| formula | C63H111O16P2 |
| global charge | -3 |
| mol weight | 1186.513 |
| InChIKey | HCQAQKHJFCTLKG-HXSMBOMKSA-K |
| InChI | InChI=1S/C63H114O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-50-52-57(65)77-55(54-76-81(73,74)79-63-60(68)58(66)59(67)62(61(63)69)78-80(70,71)72)53-75-56(64)51-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28,30,34,36,55,58-63,66-69H,3-10,12,14-16,18,20-22,24,26-27,29,31-33,35,37-54H2,1-2H3,(H,73,74)(H2,70,71,72)/p-3/b13-11-,19-17-,25-23-,30-28-,36-34-/t55-,58+,59+,60-,61-,62-,63+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C63H114O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-50-52-57(65)77-55(54-76-81(73,74)79-63-60(68)58(66)59(67)62(61(63)69)78-80(70,71)72)53-75-56(64)51-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28,30,34,36,55,58-63,66-69H,3-10,12,14-16,18,20-22,24,26-27,29,31-33,35,37-54H2,1-2H3,(H,73,74)(H2,70,71,72)/b13-11-,19-17-,25-23-,30-28-,36-34-/t55-,58+,59+,60-,61-,62-,63+/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:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:57](=[O:65])[O:77][C@H:55]([CH2:53][O:75][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][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:64])[CH2:54][O:76][P:81]([OH:73])(=[O:74])[O:79][C@H:63]1[C@H:60]([OH:68])[C@@H:58]([OH:66])[C@H:59]([OH:67])[C@@H:62]([O:78][P:80]([OH:70])([OH:71])=[O:72])[C@H:61]1[OH:69] |
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