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(3S)-3-ammonio-3-phenylpropanoate

AlkaPlorer ID: AK001860

Synonym: None

IUPAC Name: (3S)-3-amino-3-phenylpropanoic acid

Structure

SMILES: N[C@@H](CC(=O)O)C1=CC=CC=C1

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InChI: InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

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InChIKey: UJOYFRCOTPUKAK-QMMMGPOBSA-N

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Reference

PubChem CID: 686704

CAS: 40856-44-8

SuperNatural Ⅲ: SN0372221-02

NPASS: NPC203440

Properties Information

Molecule Weight: 165.19199999999998

TPSA？: 63.32000000000001

MolLogP？: 1.1611

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002109 CC(=O)C(=O)O.N[C@@H](CC(=O)O)c1ccccc1>>C[C@H](N)C(=O)O 47324
AKRT002110 CC(=O)C(=O)O.N[C@@H](CC(=O)O)c1ccccc1>>C[C@H](N)C(=O)O.O=C(O)CC(=O)c1ccccc1 None
AKRT002111 CC(=O)C(=O)O.N[C@@H](CC(=O)O)c1ccccc1>>O=C(O)CC(=O)c1ccccc1 47324
AKRT006496 CC(N)(C(=O)O)c1ccccc1>>N[C@@H](CC(=O)O)c1ccccc1 enzymemap_88223
AKRT014161 C[C@](N)(C(=O)O)c1ccccc1>>N[C@@H](CC(=O)O)c1ccccc1 enzymemap_88185
AKRT017436 NC(Cc1ccccc1)C(=O)O>>N[C@@H](CC(=O)O)c1ccccc1 enzymemap_88223
AKRT018724 N[C@@H](CC(=O)O)c1ccccc1.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C(O)CC(=O)c1ccccc1 None
AKRT018725 N[C@@H](CC(=O)O)c1ccccc1>>C[C@](N)(C(=O)O)c1ccccc1 enzymemap_88185
AKRT018726 N[C@@H](CC(=O)O)c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O RXN-13649
AKRT018727 N[C@@H](CC(=O)O)c1ccccc1>>N[C@H](Cc1ccccc1)C(=O)O enzymemap_88185
AKRT018728 N[C@@H](CC(=O)O)c1ccccc1>>O=C(O)C=Cc1ccccc1 enzymemap_85692
AKRT018729 N[C@@H](CC(=O)O)c1ccccc1>>O=C(O)CC(=O)c1ccccc1 enzymemap_42358
AKRT020091 N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](CC(=O)O)c1ccccc1 RXN-13649
AKRT020369 N[C@H](Cc1ccccc1)C(=O)O>>N[C@@H](CC(=O)O)c1ccccc1 enzymemap_88185
AKRT022563 O=C(O)/C=C/c1ccccc1>>N[C@@H](CC(=O)O)c1ccccc1 retrobiocat_1032
AKRT022682 O=C(O)C=Cc1ccccc1>>N[C@@H](CC(=O)O)c1ccccc1 enzymemap_85692