| Properties | Image |
|---|
| MNX_ID | MNXM343957 |
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| reference | slm:000443753 |
| formula | C37H57O22P4 |
| global charge | -7 |
| mol weight | 977.737 |
| InChIKey | IBTBGFMBKRPNCY-JNPCOBHKSA-G |
| InChI | InChI=1S/C37H64O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31(39)55-29(27-53-30(38)25-4-2)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44)37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h8-9,11-12,14-15,17-18,20-21,29,32-37,40-41H,3-7,10,13,16,19,22-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/p-7/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-,32+,33+,34-,35+,36-,37-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C37H64O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31(39)55-29(27-53-30(38)25-4-2)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44)37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h8-9,11-12,14-15,17-18,20-21,29,32-37,40-41H,3-7,10,13,16,19,22-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-,32+,33+,34-,35+,36-,37-/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][CH2:23][CH2:24][CH2:26][C:31](=[O:39])[O:55][C@H:29]([CH2:27][O:53][C:30]([CH2:25][CH2:4][CH3:2])=[O:38])[CH2:28][O:54][P:63]([OH:51])(=[O:52])[O:59][C@@H:34]1[C@H:32]([OH:40])[C@H:35]([O:56][P:60]([OH:42])([OH:43])=[O:44])[C@@H:37]([O:58][P:62]([OH:48])([OH:49])=[O:50])[C@H:36]([O:57][P:61]([OH:45])([OH:46])=[O:47])[C@H:33]1[OH:41] |
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