| Properties | Image |
|---|
| MNX_ID | MNXM234191 |
 |
| reference | slm:000466245 |
| formula | C65H110O19P3 |
| global charge | -5 |
| mol weight | 1288.498 |
| InChIKey | XFESIGBFWDSGIP-FYIXFCHKSA-I |
| InChI | InChI=1S/C65H115O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-59(67)81-57(56-80-87(77,78)84-63-60(68)61(69)64(82-85(71,72)73)65(62(63)70)83-86(74,75)76)55-79-58(66)53-51-49-47-45-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,27-28,30-31,57,60-65,68-70H,3-4,6,8-10,12,14-16,21-22,24,26,29,32-56H2,1-2H3,(H,77,78)(H2,71,72,73)(H2,74,75,76)/p-5/b7-5-,13-11-,19-17-,20-18-,25-23-,28-27-,31-30-/t57-,60-,61+,62+,63-,64-,65-/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)CCCCCCCCCCCCC/C=C\CCCCCCCC)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/C65H115O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-59(67)81-57(56-80-87(77,78)84-63-60(68)61(69)64(82-85(71,72)73)65(62(63)70)83-86(74,75)76)55-79-58(66)53-51-49-47-45-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,27-28,30-31,57,60-65,68-70H,3-4,6,8-10,12,14-16,21-22,24,26,29,32-56H2,1-2H3,(H,77,78)(H2,71,72,73)(H2,74,75,76)/b7-5-,13-11-,19-17-,20-18-,25-23-,28-27-,31-30-/t57-,60-,61+,62+,63-,64-,65-/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]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH: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][C:59](=[O:67])[O:81][C@H:57]([CH2:55][O:79][C:58]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:66])[CH2:56][O:80][P:87]([OH:77])(=[O:78])[O:84][C@@H:63]1[C@H:60]([OH:68])[C@H:61]([OH:69])[C@@H:64]([O:82][P:85]([OH:71])([OH:72])=[O:73])[C@H:65]([O:83][P:86]([OH:74])([OH:75])=[O:76])[C@H:62]1[OH:70] |
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