| Properties | Image |
|---|
| MNX_ID | MNXM325735 |
 |
| reference | slm:000430448 |
| formula | C45H78O19P3 |
| global charge | -5 |
| mol weight | 1016.022 |
| InChIKey | UMDWRSNCEPOPDI-KLBOOONPSA-I |
| InChI | InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13-14,16-17,19,37,40-45,48-50H,3-10,12,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/p-5/b13-11-,16-14+,19-17-/t37-,40-,41-,42+,43+,44+,45+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H83O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11,13-14,16-17,19,37,40-45,48-50H,3-10,12,15,18,20-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,16-14+,19-17-/t37-,40-,41-,42+,43+,44+,45+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:59][CH2:35][C@H:37]([CH2:36][O:60][P:67]([OH:57])(=[O:58])[O:64][C@H:43]1[C@H:40]([OH:48])[C@@H:41]([OH:49])[C@H:44]([O:62][P:65]([OH:51])([OH:52])=[O:53])[C@@H:45]([O:63][P:66]([OH:54])([OH:55])=[O:56])[C@H:42]1[OH:50])[O:61][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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