| Properties | Image |
|---|
| MNX_ID | MNXM233360 |
 |
| reference | slm:000440627 |
| formula | C42H69O22P4 |
| global charge | -7 |
| mol weight | 1049.888 |
| InChIKey | DNKUCJJVWYOCRE-CSIYYUDKSA-G |
| InChI | InChI=1S/C42H76O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-36(44)58-32-34(60-35(43)4-2)33-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h8-9,11-12,14-15,17-18,34,37-42,45-46H,3-7,10,13,16,19-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/p-7/b9-8-,12-11-,15-14-,18-17-/t34-,37+,38+,39-,40+,41-,42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C42H76O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-36(44)58-32-34(60-35(43)4-2)33-59-68(56,57)64-39-37(45)40(61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h8-9,11-12,14-15,17-18,34,37-42,45-46H,3-7,10,13,16,19-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/b9-8-,12-11-,15-14-,18-17-/t34-,37+,38+,39-,40+,41-,42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:36](=[O:44])[O:58][CH2:32][C@H:34]([CH2:33][O:59][P:68]([OH:56])(=[O:57])[O:64][C@@H:39]1[C@H:37]([OH:45])[C@H:40]([O:61][P:65]([OH:47])([OH:48])=[O:49])[C@@H:42]([O:63][P:67]([OH:53])([OH:54])=[O:55])[C@H:41]([O:62][P:66]([OH:50])([OH:51])=[O:52])[C@H:38]1[OH:46])[O:60][C:35]([CH2:4][CH3:2])=[O:43] |
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