| Properties | Image |
|---|
| MNX_ID | MNXM345302 |
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| reference | slm:000443829 |
| formula | C39H61O22P4 |
| global charge | -7 |
| mol weight | 1005.791 |
| InChIKey | VDJORMIXHWCIMP-HSTSGAHWSA-G |
| InChI | InChI=1S/C39H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)57-31(29-55-32(40)27-25-23-21-10-8-6-4-2)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/h5,7,11-12,14-15,17-18,20,22,31,34-39,42-43H,3-4,6,8-10,13,16,19,21,23-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/p-7/b7-5-,12-11-,15-14-,18-17-,22-20-/t31-,34+,35+,36-,37+,38-,39-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C39H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)57-31(29-55-32(40)27-25-23-21-10-8-6-4-2)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/h5,7,11-12,14-15,17-18,20,22,31,34-39,42-43H,3-4,6,8-10,13,16,19,21,23-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/b7-5-,12-11-,15-14-,18-17-,22-20-/t31-,34+,35+,36-,37+,38-,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:57][C@H:31]([CH2:29][O:55][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[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] |
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