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cyclo-acetoacetyl-L-tryptophan
MNXM148174 is deprecated and here replaced by MNXM1363693
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1363693 |
 |
| reference | chebi:167552 |
| formula | C15H13N2O3 |
| global charge | -1 |
| mol weight | 269.28 |
| InChIKey | ADTDXFWSOBUFSD-OEMOTLHWSA-M |
| InChI | InChI=1S/C15H14N2O3/c1-8(18)13-14(19)12(17-15(13)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12,16,18H,6H2,1H3,(H,17,20)/p-1/b13-8-/t12-/m0/s1 |
| SMILES | C/C([O-])=C1/C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C15H14N2O3/c1-8(18)13-14(19)12(17-15(13)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12,16,18H,6H2,1H3,(H,17,20)/b13-8-/t12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:8](=[C:13]1\[C:14](=[O:19])[C@H:12]([CH2:6][C:9]2=[CH:7][NH:16][C:11]3=[CH:5][CH:3]=[CH:2][CH:4]=[C:10]23)[N:17]=[C:15]1[OH:20])[OH:18] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:167552
chebi:167552
ADTDXFWSOBUFSD-OEMOTLHWSA-M
| cyclo-acetoacetyl-L-tryptophan
cAATrp
cyclo-acetoacetyl-L-tryptophan(1-)
|
metacyc.compound:CPD-17072
metacycM:CPD-17072
ADTDXFWSOBUFSD-OEMOTLHWSA-M
| cyclo-acetoacetyl-L-tryptophan
alpha-acetyl-gamma-(beta-indolyl)methyltetramate
alpha-acetyl-gamma-(beta-indolyl)methyltetramic acid
cAATrp
|