| Properties | Image |
|---|
| MNX_ID | MNXM335497 |
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| reference | slm:000443480 |
| formula | C36H63O22P4 |
| global charge | -7 |
| mol weight | 971.774 |
| InChIKey | NAADFIKTCSBFMK-KPNUPGEPSA-G |
| InChI | InChI=1S/C36H70O22P4/c1-4-5-6-7-8-9-10-11-14-17-20-23-29(37)52-25-28(54-30(38)24-21-18-15-12-13-16-19-22-27(2)3)26-53-62(50,51)58-33-31(39)34(55-59(41,42)43)36(57-61(47,48)49)35(32(33)40)56-60(44,45)46/h7-8,27-28,31-36,39-40H,4-6,9-26H2,1-3H3,(H,50,51)(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)/p-7/b8-7-/t28-,31+,32+,33-,34+,35-,36-/m1/s1 |
| SMILES | CCCC/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)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C36H70O22P4/c1-4-5-6-7-8-9-10-11-14-17-20-23-29(37)52-25-28(54-30(38)24-21-18-15-12-13-16-19-22-27(2)3)26-53-62(50,51)58-33-31(39)34(55-59(41,42)43)36(57-61(47,48)49)35(32(33)40)56-60(44,45)46/h7-8,27-28,31-36,39-40H,4-6,9-26H2,1-3H3,(H,50,51)(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)/b8-7-/t28-,31+,32+,33-,34+,35-,36-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:14][CH2:17][CH2:20][CH2:23][C:29](=[O:37])[O:52][CH2:25][C@H:28]([CH2:26][O:53][P:62]([OH:50])(=[O:51])[O:58][C@@H:33]1[C@H:31]([OH:39])[C@H:34]([O:55][P:59]([OH:41])([OH:42])=[O:43])[C@@H:36]([O:57][P:61]([OH:47])([OH:48])=[O:49])[C@H:35]([O:56][P:60]([OH:44])([OH:45])=[O:46])[C@H:32]1[OH:40])[O:54][C:30]([CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22][CH:27]([CH3:2])[CH3:3])=[O:38] |
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