| Properties | Image |
|---|
| MNX_ID | MNXM343040 |
 |
| reference | slm:000462894 |
| formula | C23H41O16P2 |
| global charge | -3 |
| mol weight | 635.513 |
| InChIKey | RTKMNDSRDTXOBB-HDQYDRCBSA-K |
| InChI | InChI=1S/C23H44O16P2/c1-3-4-5-6-7-8-9-10-11-12-17(25)37-16(13-35-15(2)24)14-36-41(33,34)39-23-20(28)18(26)22(19(27)21(23)29)38-40(30,31)32/h16,18-23,26-29H,3-14H2,1-2H3,(H,33,34)(H2,30,31,32)/p-3/t16-,18-,19+,20-,21-,22+,23+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H44O16P2/c1-3-4-5-6-7-8-9-10-11-12-17(25)37-16(13-35-15(2)24)14-36-41(33,34)39-23-20(28)18(26)22(19(27)21(23)29)38-40(30,31)32/h16,18-23,26-29H,3-14H2,1-2H3,(H,33,34)(H2,30,31,32)/t16-,18-,19+,20-,21-,22+,23+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:17](=[O:25])[O:37][C@H:16]([CH2:13][O:35][C:15]([CH3:2])=[O:24])[CH2:14][O:36][P:41]([OH:33])(=[O:34])[O:39][C@H:23]1[C@H:20]([OH:28])[C@@H:18]([OH:26])[C@H:22]([O:38][P:40]([OH:30])([OH:31])=[O:32])[C@@H:19]([OH:27])[C@H:21]1[OH:29] |
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