IngredientID 31488

Quisqualic acid

C5H7N3O5

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Herb: 4Ingredient: 1Target: 12Links: 16

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 31488
Core Entity Id: 38187
Source Entity Count: 1
Preferred Name: Quisqualic acid
Name En
Pubchem Id: 40539
Smiles Canonical: C(C(C(=O)O)N)N1C(=O)NC(=O)O1
Molecular Formula: C5H7N3O5
Molecular Weight: 189.1270
Inchikey: ASNFTDCKZKHJSW-REOHCLBHSA-N
Inchi: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
Isomeric Smiles: C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
Cas Id: 52809-07-1
Ob Score: 4.3670
Mol Logp: -2.4585
Num H Donors: 3
Num H Acceptors: 6
Num Rotatable Bonds: 3
Drug Likeness: 0.4830
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Quisqualic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quisqualic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quisqualic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quisqualic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quisqualic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

毛使君子

Role

TCM_name

Source

TCMBank

Preferred

Name

MAO SHI JUN ZI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Villous Rangooncreeper*

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(+)-Quisqualic acid

Role

alias

Source

HERB_v2

Preferred

Name

(+)-Quisqualic acid

Role

alias

Source

TCMBank

Preferred

Name

(+)-Quisqualic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(2S)-2-amino-3-(3,5-diketo-1,2,4-oxadiazolidin-2-yl)propionic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

Role

alias

Source

HERB_v2

Preferred

Name

(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

Role

alias

Source

TCMBank

Preferred

Name

(L)-(+)-?-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid

Role

alias

Source

TCMBank

Preferred

Name

(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID

Role

alias

Source

TCMBank

Preferred

Name

(S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

Role

alias

Source

TCMBank

Preferred

Name

1,2,4-Oxadiazolidine-2-propanoic acid, alpha-amino-3,5-dioxo-, (S)-

Role

alias

Source

TCMBank

Preferred

Name

1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (aS)-

Role

alias

Source

TCMBank

Preferred

Name

1mm6

Role

alias

Source

TCMBank

Preferred

Name

1mm7

Role

alias

Source

TCMBank

Preferred

Name

1p1o

Role

alias

Source

TCMBank

Preferred

Name

2-Amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid(Quisqualic acid)

Role

alias

Source

TCMBank

Preferred

Name

2-amino-3-(3,5-dioxo[1,2,4]oxadiazolidin-2-yl)propionic acid

Role

alias

Source

TCMBank

Preferred

Name

2jbk

Role

alias

Source

TCMBank

Preferred

Name

2or4

Role

alias

Source

TCMBank

Preferred

Name

3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine

Role

alias

Source

TCMBank

Preferred

Name

51821-59-1

Role

alias

Source

TCMBank

Preferred

Name

52284-24-9

Role

alias

Source

TCMBank

Preferred

Name

52809-07-1

Role

alias

Source

HERB_v2

Preferred

Name

52809-07-1

Role

alias

Source

TCMBank

Preferred

Name

52809-07-1

Role

alias

Source

itcmdb_public

Preferred

Name

809Q071

Role

alias

Source

TCMBank

Preferred

Name

8OC22C1B99

Role

alias

Source

TCMBank

Preferred

Name

AC1L23YS

Role

alias

Source

TCMBank

Preferred

Name

AC1ODZB5

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6GK0

Role

alias

Source

TCMBank

Preferred

Name

ACM52809071

Role

alias

Source

TCMBank

Preferred

Name

AK668624

Role

alias

Source

TCMBank

Preferred

Name

AKOS024456826

Role

alias

Source

TCMBank

Preferred

Name

ASNFTDCKZKHJSW-REOHCLBHSA-N

Role

alias

Source

TCMBank

Preferred

Name

BDBM17660

Role

alias

Source

TCMBank

Preferred

Name

BDBM50164445

Role

alias

Source

TCMBank

Preferred

Name

BN0434

Role

alias

Source

TCMBank

Preferred

Name

C-52964

Role

alias

Source

TCMBank

Preferred

Name

C08296

Role

alias

Source

TCMBank

Preferred

Name

C5H7N3O5

Role

alias

Source

TCMBank

Preferred

Name

CCG-205116

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:8734

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:8734

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:8734

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL168279

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL168279

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL168279

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL279956

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL279956

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL279956

Role

alias

Source

TCMBank

Preferred

Name

CTK4J6551

Role

alias

Source

TCMBank

Preferred

Name

D06DUE

Role

alias

Source

TCMBank

Preferred

Name

D0W6JO

Role

alias

Source

TCMBank

Preferred

Name

DB02999

Role

alias

Source

TCMBank

Preferred

Name

EU-0101039

Role

alias

Source

TCMBank

Preferred

Name

FCH4012693

Role

alias

Source

TCMBank

Preferred

Name

FT-0604435

Role

alias

Source

TCMBank

Preferred

Name

GTPL1370

Role

alias

Source

TCMBank

Preferred

Name

GTPL1372

Role

alias

Source

TCMBank

Preferred

Name

HMS2233G05

Role

alias

Source

TCMBank

Preferred

Name

HMS3263O19

Role

alias

Source

TCMBank

Preferred

Name

KB-60323

Role

alias

Source

TCMBank

Preferred

Name

L(+)-alpha-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid

Role

alias

Source

TCMBank

Preferred

Name

L-Quisqualic acid

Role

alias

Source

itcmdb_public

Preferred

Name

L-Quisqualic acid

Role

alias

Source

HERB_v2

Preferred

Name

L-Quisqualic acid

Role

alias

Source

TCMBank

Preferred

Name

LP01039

Role

alias

Source

TCMBank

Preferred

Name

LS-175398

Role

alias

Source

TCMBank

Preferred

Name

Lopac0_001039

Role

alias

Source

TCMBank

Preferred

Name

MFCD00069337

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00069337

Role

alias

Source

TCMBank

Preferred

Name

MFCD00069337

Role

alias

Source

itcmdb_public

Preferred

Name

MLS001074741

Role

alias

Source

TCMBank

Preferred

Name

MolPort-003-939-212

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024489-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024489-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024489-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024489-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024489-05

Role

alias

Source

TCMBank

Preferred

Name

NCGC00261724-01

Role

alias

Source

TCMBank

Preferred

Name

PDSP1_000814

Role

alias

Source

TCMBank

Preferred

Name

PDSP2_000801

Role

alias

Source

TCMBank

Preferred

Name

Q 2128

Role

alias

Source

TCMBank

Preferred

Name

Q2128_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

QC-11635

Role

alias

Source

TCMBank

Preferred

Name

QUS

Role

alias

Source

TCMBank

Preferred

Name

Quisqualate

Role

alias

Source

itcmdb_public

Preferred

Name

Quisqualate

Role

alias

Source

TCMBank

Preferred

Name

Quisqualate

Role

alias

Source

HERB_v2

Preferred

Name

Quisqualate, L

Role

alias

Source

TCMBank

Preferred

Name

Quisqualic acid, powder

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13319908

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL136819

Role

alias

Source

TCMBank

Preferred

Name

SMR000471890

Role

alias

Source

TCMBank

Preferred

Name

SR-01000075471

Role

alias

Source

TCMBank

Preferred

Name

SR-01000075471-1

Role

alias

Source

TCMBank

Preferred

Name

SR-01000075471-5

Role

alias

Source

TCMBank

Preferred

Name

SR-01000597681

Role

alias

Source

TCMBank

Preferred

Name

SR-01000597681-1

Role

alias

Source

TCMBank

Preferred

Name

ST50825297

Role

alias

Source

TCMBank

Preferred

Name

Tocris-0188

Role

alias

Source

TCMBank

Preferred

Name

Tox21_501039

Role

alias

Source

TCMBank

Preferred

Name

UNII-8OC22C1B99

Role

alias

Source

TCMBank

Preferred

Name

V0329

Role

alias

Source

TCMBank

Preferred

Name

ZINC897456

Role

alias

Source

TCMBank

Preferred

Name

[3H]quisqualate

Role

alias

Source

TCMBank

Preferred

Name

beta-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

毛使君子MAO SHI JUN ZIVillous Rangooncreeper*(+)-Quisqualic acid(2S)-2-amino-3-(3,5-diketo-1,2,4-oxadiazolidin-2-yl)propionic acid(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid(L)-(+)-?-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID(S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid1,2,4-Oxadiazolidine-2-propanoic acid, alpha-amino-3,5-dioxo-, (S)-1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (aS)-1mm61mm71p1o2-Amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid(Quisqualic acid)2-amino-3-(3,5-dioxo[1,2,4]oxadiazolidin-2-yl)propionic acid2jbk2or43-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine51821-59-152284-24-952809-07-1809Q0718OC22C1B99AC1L23YSAC1ODZB5AC1Q6GK0ACM52809071AK668624AKOS024456826ASNFTDCKZKHJSW-REOHCLBHSA-NBDBM17660BDBM50164445BN0434C-52964C08296C5H7N3O5CCG-205116CHEBI:8734CHEMBL168279CHEMBL279956CTK4J6551D06DUED0W6JODB02999EU-0101039FCH4012693FT-0604435GTPL1370GTPL1372HMS2233G05HMS3263O19KB-60323L(+)-alpha-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acidL-Quisqualic acidLP01039LS-175398Lopac0_001039MFCD00069337MLS001074741MolPort-003-939-212NCGC00024489-01NCGC00024489-02NCGC00024489-03NCGC00024489-04NCGC00024489-05NCGC00261724-01PDSP1_000814PDSP2_000801Q 2128Q2128_SIGMAQC-11635QUSQuisqualateQuisqualate, LQuisqualic acid, powderSCHEMBL13319908SCHEMBL136819SMR000471890SR-01000075471SR-01000075471-1SR-01000075471-5SR-01000597681SR-01000597681-1ST50825297Tocris-0188Tox21_501039UNII-8OC22C1B99V0329ZINC897456[3H]quisqualatebeta-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine

Cross References

Trusted external identifiers retained for this final record.

Cas

52809-07-1

Herb

HBIN041792

Tcmid

1843723176

Tcmsp

MOL010892

Sym Map

SMIT00309SMIT02549

Tcm Id

139923761

Pub Chem

40539

Tcmbank

TCMBANKIN040441

Etcm Ingredient

quisqualic acid

Itcmdb Generated

ITX-INGREDIENT-A21CDA86C85C

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1

Mol Wt

189.127

Cas Id

52809-07-1

Mol Log P

-2.4585

Version

v1,v2

In Ch Ikey

ASNFTDCKZKHJSW-REOHCLBHSA-N

Ob Score

4.3674.367414.36741036

Suppress

Tcm Name

毛使君子

Tcm Name2

MAO SHI JUN ZI

Mol2 Path

/TCM_database/2007_3d_all/18452.mol2

Reference

1521, 5501, 5505

Num Hdonors

Tcm Name En

Villous Rangooncreeper*

Drug Likeness

0.483

Num Hacceptors

Isomeric Smiles

C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1

Molecule Weight

189.15

Canonical Smiles

C(C(C(=O)O)N)N1C(=O)NC(=O)O1

Herb Alias Names

52809-07-1QuisqualateL-Quisqualic acid(+)-Quisqualic acid(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acidMFCD00069337CHEBI:8734CHEMBL168279CHEMBL279956

Molecular Weight

189.040

Molecular Weight

189.13

Molecule Formula

C5H7N3O5

Molecular Formula

C5H7N3O5

Molecular Formula

C5H7N3O5

Num Rotatable Bonds

Link Ingredient Id

309.0

Fda Maximum Daily Dose (Fdamdd)

0.003

Quantitative Estimate Of Drug Likeness（Qed）

0.483