| Properties | Image |
|---|
| MNX_ID | MNXM181791 |
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| reference | slm:000445444 |
| formula | C45H74O19P3 |
| global charge | -5 |
| mol weight | 1011.99 |
| InChIKey | HOEQTGWVNZFVFD-KUORUUQBSA-I |
| InChI | InChI=1S/C45H79O19P3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-38(46)59-35-37(61-39(47)34-32-29-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h10-11,13-14,16-17,19-20,22-23,37,40-45,48-50H,3-9,12,15,18,21,24-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/p-5/b11-10-,14-13-,17-16-,20-19-,23-22-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
| SMILES | CCCCC/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](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H79O19P3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-38(46)59-35-37(61-39(47)34-32-29-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h10-11,13-14,16-17,19-20,22-23,37,40-45,48-50H,3-9,12,15,18,21,24-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b11-10-,14-13-,17-16-,20-19-,23-22-/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:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][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:45]1[C@H:41]([OH:49])[C@H:43]([O:62][P:65]([OH:51])([OH:52])=[O:53])[C@@H:40]([OH:48])[C@H:44]([O:63][P:66]([OH:54])([OH:55])=[O:56])[C@H:42]1[OH:50])[O:61][C:39]([CH2:34][CH2:32][CH2:29][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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