Molecule

N-(indole-3-acetyl)-L-aspartate(2-)

AlkaPlorer ID: AK002819

Synonym: '3-Indolylacetyl-L-aspartic acid', '', 'indole-3-acetyl-Asp', 'IAA-Asp', 'N-(indole-3-acetyl)-L-aspartic acid', 'indole-3-acetyl-aspartate', 'N-(indol-3-ylacetyl)aspartic acid', 'IAASP', '(Indoleacetyl)aspartic acid', '(indol-3-yl)acetyl-L-aspartate', 'indole-3-acetyl-aspartic acid', 'indole-3-acetylaspartate', 'N-(indol-3-ylacetyl)-L-aspartic acid', '(Indole-3-acetyl)aspartic acid', 'N-(indole-3-acetyl)aspartic acid', 'indole-3-acetyl-aspartate(2-)', 'Indole-3-acetyl-L-aspartic acid', 'N-(indole-3-acetyl)aspartate(2-)'

IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid

Structure

SMILES: O=C(O)C[C@H](N=C(O)CC1=CNC2=CC=CC=C12)C(=O)O

InChI: InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1

InChIKey: VAFNMNRKDDAKRM-NSHDSACASA-N

Reference

Determination of indole-3-acetic acid and indole-3-acetylaspartic acid in pea plant with capillary electrophoresis and fluorescence detection

PubChem CID: 446620

CAS: 2456-73-7

LOTUS: LTS0014046

NPASS: NPC325768

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pisum sativum	Pisum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 290.27500000000003

TPSA？: 122.98

MolLogP？: 1.5948000000000002

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000787	*OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O>>O=C(O)C[C@H](NC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O	RXN-9074
AKRT018698	N[C@@H](CC(=O)O)C(=O)O.O=C(O)Cc1c[nH]c2ccccc12>>O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O	RXN-2946
AKRT022925	O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O	60428
AKRT022926	O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O.O=C(O)Cc1c[nH]c2ccccc12	None
AKRT022927	O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O>>O=C(O)C[C@H](NC(=O)CC1C(=O)Nc2ccccc21)C(=O)O	RXN-3184
AKRT022928	O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O>>O=C(O)Cc1c[nH]c2ccccc12	60428
AKRT022931	O=C(O)C[C@H](NC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(=O)O>>O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O	MNXR177395