| Properties | Image |
|---|
| MNX_ID | MNXM180425 |
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| reference | slm:000438952 |
| formula | C39H59O22P4 |
| global charge | -7 |
| mol weight | 1003.775 |
| InChIKey | SGYQFSAQFBBEKK-ZNBDYVLCSA-G |
| InChI | InChI=1S/C39H66O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(41)55-29-32(57-31(2)40)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/h4-5,7-8,10-11,13-14,16-17,19-20,32,34-39,42-43H,3,6,9,12,15,18,21-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/p-7/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t32-,34+,35+,36-,37+,38-,39-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C39H66O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(41)55-29-32(57-31(2)40)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/h4-5,7-8,10-11,13-14,16-17,19-20,32,34-39,42-43H,3,6,9,12,15,18,21-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t32-,34+,35+,36-,37+,38-,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:33](=[O:41])[O:55][CH2:29][C@H:32]([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:31]([CH3:2])=[O:40] |
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