| Properties | Image |
|---|
| MNX_ID | MNXM148947 |
 |
| reference | metacycM:CPD-18050 |
| formula | C22H48N6O13P |
| global charge | 3 |
| mol weight | 635.629 |
| InChIKey | LSGFDPXVLWDLSF-VGNKJVEZSA-Q |
| InChI | InChI=1S/C22H45N6O13P/c23-4-3-12(30)20(33)28-11-5-10(26)17(39-21-9(25)2-1-8(6-24)37-21)16(32)18(11)40-22-19(41-42(34,35)36)14(27)15(31)13(7-29)38-22/h8-19,21-22,29-32H,1-7,23-27H2,(H,28,33)(H2,34,35,36)/p+3/t8-,9+,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+,22+/m0/s1 |
| SMILES | [NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H45N6O13P/c23-4-3-12(30)20(33)28-11-5-10(26)17(39-21-9(25)2-1-8(6-24)37-21)16(32)18(11)40-22-19(41-42(34,35)36)14(27)15(31)13(7-29)38-22/h8-19,21-22,29-32H,1-7,23-27H2,(H,28,33)(H2,34,35,36)/t8-,9+,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+,22+/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:9]([NH2:25])[C@@H:21]([O:39][C@@H:17]2[C@@H:10]([NH2:26])[CH2:5][C@@H:11]([N:28]=[C:20]([C@H:12]([CH2:3][CH2:4][NH2:23])[OH:30])[OH:33])[C@H:18]([O:40][C@@H:22]3[C@H:19]([O:41][P:42]([OH:34])([OH:35])=[O:36])[C@@H:14]([NH2:27])[C@H:15]([OH:31])[C@@H:13]([CH2:7][OH:29])[O:38]3)[C@H:16]2[OH:32])[O:37][C@@H:8]1[CH2:6][NH2:24] |
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