LOTUS: Natural Products Online

Q27109481

Name	Aspartic acid
Wikidata	Q27109481
Mol. formula	C4H7NO4
CAS registry number	-
Mol. weight	133.1029

Representations

Temporary LOTUS id	LTS0182847
Name	Aspartic acid
Canonical SMILES	NC(CC(=O)O)C(=O)O
2D SMILES	NC(CC(=O)O)C(=O)O
IUPAC name	2-aminobutanedioic acid
InChI	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
InChIKey	CKLJMWTZIZZHCS-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	not applicable

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasma	Mycoplasma gallisepticum
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasma	Mycoplasma bovis

Superkingdom	Phylum	Family	Genus	Species	Link to taxonomy
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasmopsis	Mycoplasma bovis
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasma	Mycoplasma gallisepticum

Domain	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasma	Mycoplasma bovis
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasma	Mycoplasma gallisepticum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Bacteria	Tenericutes	Mycoplasmataceae	Mycoplasma	Mycoplasma gallisepticum

Ref:

Domain	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Bacteria	Actinobacteria	Streptomycetaceae	Streptomyces	Streptomyces akiyoshiensis

Superkingdom	Phylum	Family	Genus	Species	Link to taxonomy
Bacteria	Actinobacteria	Streptomycetaceae	Streptomyces	Streptomyces akiyoshiensis

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Animalia	Chordata	Hylidae	Litoria	Litoria verreauxii

Kingdom	Phylum	Family	Genus	Species
Animalia	Chordata	Pelodryadidae	Litoria	Litoria verreauxii

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Metazoa	Chordata	Hylidae	Litoria	Litoria verreauxii

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Chordata	Hylidae	Litoria	Litoria verreauxii

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Animalia	Chordata	Hylidae	Litoria	Litoria verreauxii

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Family	Genus	Species
Plantae	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Family	Genus	Species
Brassicaceae	Arabidopsis	Arabidopsis thaliana

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Melanthiaceae	Paris	Paris polyphylla
Eukaryota	Archaeplastida	Streptophyta	Melanthiaceae	Paris	Paris fargesii

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Melanthiaceae	Paris	Paris fargesii
Eukaryota	Viridiplantae	Streptophyta	Melanthiaceae	Paris	Paris polyphylla

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Melanthiaceae	Paris	Paris fargesii
Plantae	Tracheophyta	Melanthiaceae	Paris	Paris polyphylla

Ref:

Kingdom	Phylum	Family	Genus	Species
Bacteria	Proteobacteria	Pseudomonadaceae	Pseudomonas	Pseudomonas putida

Kingdom	Family	Genus	Species
Fungi	Pucciniaceae	Puccinia	Puccinia graminis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Fungi	Basidiomycota	Pucciniaceae	Puccinia	Puccinia graminis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Fungi	Basidiomycota	Pucciniaceae	Puccinia	Puccinia graminis

Kingdom	Phylum	Family	Species	Link to taxonomy
Fungi	Basidiomycota	Pucciniaceae	Puccinia graminis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Fungi	Basidiomycota	Pucciniaceae	Puccinia	Puccinia graminis

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Family	Genus	Species
Plantae	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Family	Genus	Species
Brassicaceae	Arabidopsis	Arabidopsis thaliana

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Family	Genus	Species
Plantae	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Family	Genus	Species
Brassicaceae	Arabidopsis	Arabidopsis thaliana

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Glycine	Glycine max

Kingdom	Family	Genus	Species
Plantae	Fabaceae	Glycine	Glycine max

Family	Genus	Species
Fabaceae	Glycine	Glycine max

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Glycine	Glycine max

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Glycine	Glycine max

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Glycine	Glycine max

Ref:

Domain	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Bacteria	Proteobacteria	Enterobacteriaceae	Salmonella	Salmonella enterica

Superkingdom	Phylum	Family	Genus	Species	Link to taxonomy
Bacteria	Proteobacteria	Enterobacteriaceae	Salmonella	Salmonella enterica

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Bacteria	Proteobacteria	Enterobacteriaceae	Salmonella	Salmonella enterica

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Caryophyllaceae	Stellaria	Stellaria media

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Caryophyllaceae	Stellaria	Stellaria media

Ref:

Domain	Kingdom	Phylum	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Rhodophyta	Chondria	Chondria armata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Colchicaceae	Colchicum	Colchicum trigynum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Santalaceae	Viscum	Viscum album

Ref:

Domain	Phylum	Genus	Species	Link to taxonomy	Link to Wikidata
Bacteria	Cyanobacteria	Synechococcus	Synechococcus elongatus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Plantaginaceae	Antirrhinum	Antirrhinum majus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Nematoda	Rhabditidae	Caenorhabditis	Caenorhabditis elegans

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araceae	Lemna	Lemna aequinoctialis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fagaceae	Castanea	Castanea sativa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Chlorophyta	Chlamydomonadaceae	Chlamydomonas	Chlamydomonas reinhardtii

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Onobrychis	Onobrychis kachetica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Amaryllidaceae	Allium	Allium rotundum

Ref:

Domain	Kingdom	Phylum	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Rhodophyta	Chondria	Chondria armata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Pisum	Pisum sativum

Ref:

Kingdom	Phylum	Family	Species	Link to taxonomy
Fungi	Ascomycota	Saccharomycetaceae	Saccharomyces cerevisiae

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Abutilon	Abutilon indicum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Chemical ontology

Pathway	Superclass	Class
Amino acids and Peptides	Small peptides	Aminoacids

Molecular Properties

Total atom number	16
Heavy atom number	9
Bond count	8
Number of carbons	4
Minimal number of rings	0
Maximal number of rings	0

Molecular Descriptors

NP-likeness score	2.34
Alogp	-1.25
Alogp2	1.55
Apol	16.0156
Bpol	8.9084
EccentricConnectivityIndexDescriptor	63
FmfDescriptor	0
Fsp3	0.5
FragmentComplexityDescriptor	153.05
PetitjeanNumber	0.4
LipinskiRuleOf5Failures	0
WienerPathNumber	96
Xlogp	-3.707
ZagrebIndex	36
TopoPSA	100.62

Kingdom	Superclass	Class	Direct Parent
Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Aspartic acid and derivatives