| Properties | Image |
|---|
| MNX_ID | MNXM149135 |
 |
| reference | metacycM:CPD-18053 |
| formula | C21H45N5O10P |
| global charge | 3 |
| mol weight | 558.59 |
| InChIKey | OSJVQLVTXRKQCU-SRMZGXPFSA-Q |
| InChI | InChI=1S/C21H42N5O10P/c1-4-26-13-7-12(24)15(34-19-11(23)6-5-10(8-22)33-19)14(27)16(13)35-20-17(36-37(29,30)31)18(25-3)21(2,28)9-32-20/h5,11-20,25-28H,4,6-9,22-24H2,1-3H3,(H2,29,30,31)/p+3/t11-,12+,13-,14+,15-,16+,17-,18-,19-,20+,21+/m1/s1 |
| SMILES | CC[NH2+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2OC(C[NH3+])=CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H42N5O10P/c1-4-26-13-7-12(24)15(34-19-11(23)6-5-10(8-22)33-19)14(27)16(13)35-20-17(36-37(29,30)31)18(25-3)21(2,28)9-32-20/h5,11-20,25-28H,4,6-9,22-24H2,1-3H3,(H2,29,30,31)/t11-,12+,13-,14+,15-,16+,17-,18-,19-,20+,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][NH:26][C@@H:13]1[CH2:7][C@H:12]([NH2:24])[C@@H:15]([O:34][C@@H:19]2[C@H:11]([NH2:23])[CH2:6][CH:5]=[C:10]([CH2:8][NH2:22])[O:33]2)[C@H:14]([OH:27])[C@H:16]1[O:35][C@H:20]1[C@H:17]([O:36][P:37]([OH:29])([OH:30])=[O:31])[C@@H:18]([NH:25][CH3:3])[C@@:21]([CH3:2])([OH:28])[CH2:9][O:32]1 |
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