| Properties | Image |
|---|
| MNX_ID | MNXM148326 |
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| reference | metacycM:CPD-17731 |
| formula | C28H43N5O8P |
| global charge | -1 |
| mol weight | 608.653 |
| InChIKey | QVDHMNHQFWWZID-XXLPZNOGSA-M |
| InChI | InChI=1S/C28H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h6-7,9-10,19-21,24-25,28,35-36H,2-5,8,11-18H2,1H3,(H,37,38)(H2,29,30,31)/p-1/b7-6-,10-9-/t21-,24-,25-,28-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h6-7,9-10,19-21,24-25,28,35-36H,2-5,8,11-18H2,1H3,(H,37,38)(H2,29,30,31)/b7-6-,10-9-/t21-,24-,25-,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:22](=[O:34])[O:41][P:42]([OH:37])(=[O:38])[O:39][CH2:18][C@@H:21]1[C@@H:24]([OH:35])[C@@H:25]([OH:36])[C@H:28]([N:33]2[CH:20]=[N:32][C:23]3=[C:26]([NH2:29])[N:30]=[CH:19][N:31]=[C:27]32)[O:40]1 |
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