| Properties | Image |
|---|
| MNX_ID | MNXM343901 |
 |
| reference | slm:000443749 |
| formula | C35H53O22P4 |
| global charge | -7 |
| mol weight | 949.683 |
| InChIKey | ZSFBMZDPELAQLA-UAGAVFKZSA-G |
| InChI | InChI=1S/C35H60O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)53-27(25-51-28(36)23-4-2)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/h8-9,11-12,14-15,17-18,20-21,27,30-35,38-39H,3-7,10,13,16,19,22-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/p-7/b9-8-,12-11-,15-14-,18-17-,21-20-/t27-,30+,31+,32-,33+,34-,35-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC)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/C35H60O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)53-27(25-51-28(36)23-4-2)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/h8-9,11-12,14-15,17-18,20-21,27,30-35,38-39H,3-7,10,13,16,19,22-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b9-8-,12-11-,15-14-,18-17-,21-20-/t27-,30+,31+,32-,33+,34-,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][C:29](=[O:37])[O:53][C@H:27]([CH2:25][O:51][C:28]([CH2:23][CH2:4][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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