| Properties | Image |
|---|
| MNX_ID | MNXM342700 |
 |
| reference | slm:000443673 |
| formula | C35H51O22P4 |
| global charge | -7 |
| mol weight | 947.667 |
| InChIKey | HAWCJGIVRDDRMS-KSPITDGESA-G |
| InChI | InChI=1S/C35H58O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(37)53-28(25-51-27(2)36)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56-60(46,47)48)34(31(32)39)55-59(43,44)45/h4-5,7-8,10-11,13-14,16-17,19-20,28,30-35,38-39H,3,6,9,12,15,18,21-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/p-7/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t28-,30+,31+,32-,33+,34-,35-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H58O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(37)53-28(25-51-27(2)36)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56-60(46,47)48)34(31(32)39)55-59(43,44)45/h4-5,7-8,10-11,13-14,16-17,19-20,28,30-35,38-39H,3,6,9,12,15,18,21-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t28-,30+,31+,32-,33+,34-,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][C:29](=[O:37])[O:53][C@H:28]([CH2:25][O:51][C:27]([CH3:2])=[O:36])[CH2:26][O:52][P:61]([OH:49])(=[O:50])[O:57][C@@H:32]1[C@H:30]([OH:38])[C@H:33]([O:54][P:58]([OH:40])([OH:41])=[O:42])[C@@H:35]([O:56][P:60]([OH:46])([OH:47])=[O:48])[C@H:34]([O:55][P:59]([OH:43])([OH:44])=[O:45])[C@H:31]1[OH:39] |
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