| Properties | Image |
|---|
| MNX_ID | MNXM324553 |
 |
| reference | slm:000443222 |
| formula | C37H63O22P4 |
| global charge | -7 |
| mol weight | 983.785 |
| InChIKey | CXOCGGRCZCWHOQ-YXODTADSSA-G |
| InChI | InChI=1S/C37H70O22P4/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)53-27-29(55-31(39)26-24-22-20-17-12-10-8-6-4-2)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/h7,9,13-14,29,32-37,40-41H,3-6,8,10-12,15-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/p-7/b9-7-,14-13-/t29-,32+,33+,34-,35+,36-,37-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H70O22P4/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)53-27-29(55-31(39)26-24-22-20-17-12-10-8-6-4-2)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/h7,9,13-14,29,32-37,40-41H,3-6,8,10-12,15-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/b9-7-,14-13-/t29-,32+,33+,34-,35+,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][C:30](=[O:38])[O:53][CH2:27][C@H:29]([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])[O:55][C:31]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39] |
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