| Properties | Image |
|---|
| MNX_ID | MNXM324383 |
 |
| reference | slm:000443217 |
| formula | C39H65O22P4 |
| global charge | -7 |
| mol weight | 1009.823 |
| InChIKey | UXTHKPPXQSVPFK-XQUDOAORSA-G |
| InChI | InChI=1S/C39H72O22P4/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(40)55-29-31(57-33(41)28-26-24-22-20-17-14-12-10-8-6-4-2)30-56-65(53,54)61-36-34(42)37(58-62(44,45)46)39(60-64(50,51)52)38(35(36)43)59-63(47,48)49/h7,9-10,12-13,15,31,34-39,42-43H,3-6,8,11,14,16-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/p-7/b9-7-,12-10-,15-13-/t31-,34+,35+,36-,37+,38-,39-/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)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H72O22P4/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(40)55-29-31(57-33(41)28-26-24-22-20-17-14-12-10-8-6-4-2)30-56-65(53,54)61-36-34(42)37(58-62(44,45)46)39(60-64(50,51)52)38(35(36)43)59-63(47,48)49/h7,9-10,12-13,15,31,34-39,42-43H,3-6,8,11,14,16-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/b9-7-,12-10-,15-13-/t31-,34+,35+,36-,37+,38-,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][C:32](=[O:40])[O:55][CH2:29][C@H:31]([CH2:30][O:56][P:65]([OH:53])(=[O:54])[O:61][C@@H:36]1[C@H:34]([OH:42])[C@H:37]([O:58][P:62]([OH:44])([OH:45])=[O:46])[C@@H:39]([O:60][P:64]([OH:50])([OH:51])=[O:52])[C@H:38]([O:59][P:63]([OH:47])([OH:48])=[O:49])[C@H:35]1[OH:43])[O:57][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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