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CHEBI:83170 - (3R)-3-amino-3-phenylpropanoyl-CoA
| Formula | C30H45N8O17P3S |
| Net Charge | 0 |
| Average Mass | 914.718 |
| Monoisotopic Mass | 914.18362 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](N)c1ccccc1 |
| InChI | InChI=1S/C30H45N8O17P3S/c1-30(2,25(42)28(43)34-9-8-20(39)33-10-11-59-21(40)12-18(31)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,41-42H,8-14,31H2,1-2H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18-,19-,23-,24-,25+,29-/m1/s1 |
| InChIKey | SUUAAMNYLVZHRN-JOQFVOQGSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R)-3-amino-3-phenylpropanoyl-CoA (CHEBI:83170) has functional parent (R)-3-amino-3-phenylpropanoic acid (CHEBI:67172) |
| (3R)-3-amino-3-phenylpropanoyl-CoA (CHEBI:83170) is a acyl-CoA (CHEBI:17984) |
| (3R)-3-amino-3-phenylpropanoyl-CoA (CHEBI:83170) is conjugate acid of (3R)-3-ammonio-3-phenylpropanoyl-CoA(3−) (CHEBI:79188) |
| Incoming Relation(s) |
| (3R)-3-ammonio-3-phenylpropanoyl-CoA(3−) (CHEBI:79188) is conjugate base of (3R)-3-amino-3-phenylpropanoyl-CoA (CHEBI:83170) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-amino-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-3-Amino-3-phenylpropanoyl-CoA | KEGG COMPOUND |
| beta-Phenylalanoyl-CoA | KEGG COMPOUND |
| (R)-beta-Phenylalanoyl-CoA | KEGG COMPOUND |
| Amino phenylpropanoyl-CoA | KEGG COMPOUND |
| Citations |
|---|