| Properties | Image |
|---|
| MNX_ID | MNXM1132908 |
 |
| reference | metacycM:CPD-24428 |
| formula | C20H31N3O16P2 |
| global charge | -2 |
| mol weight | 631.421 |
| InChIKey | PSHLANAOTIBYPZ-LWGDBZCBSA-L |
| InChI | InChI=1S/C20H33N3O16P2/c1-8-6-23(20(30)22-18(8)29)14-5-11(25)12(37-14)7-35-40(31,32)39-41(33,34)38-19-17(28)16(27)15(10(3)36-19)21-13(26)4-9(2)24/h6,9-12,14-17,19,24-25,27-28H,4-5,7H2,1-3H3,(H,21,26)(H,31,32)(H,33,34)(H,22,29,30)/p-2/t9-,10+,11-,12+,14+,15+,16-,17+,19+/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C)[C@@H](NC(=O)C[C@H](C)O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C20H33N3O16P2/c1-8-6-23(20(30)22-18(8)29)14-5-11(25)12(37-14)7-35-40(31,32)39-41(33,34)38-19-17(28)16(27)15(10(3)36-19)21-13(26)4-9(2)24/h6,9-12,14-17,19,24-25,27-28H,4-5,7H2,1-3H3,(H,21,26)(H,31,32)(H,33,34)(H,22,29,30)/t9-,10+,11-,12+,14+,15+,16-,17+,19+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:8]1=[CH:6][N:23]([C@H:14]2[CH2:5][C@H:11]([OH:25])[C@@H:12]([CH2:7][O:35][P:40]([OH:31])(=[O:32])[O:39][P:41]([OH:33])(=[O:34])[O:38][C@@H:19]3[C@H:17]([OH:28])[C@@H:16]([OH:27])[C@H:15]([N:21]=[C:13]([CH2:4][C@H:9]([CH3:2])[OH:24])[OH:26])[C@@H:10]([CH3:3])[O:36]3)[O:37]2)[C:20](=[O:30])[N:22]=[C:18]1[OH:29] |
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