IngredientID 11632

Asparamide

C4H8N2O3

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 12Ingredient: 1Target: 12Links: 24

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 11632
Core Entity Id: 16098
Source Entity Count: 1
Preferred Name: Asparamide
Name En
Pubchem Id: 6267
Smiles Canonical: C(C(C(=O)O)N)C(=O)N
Molecular Formula: C4H8N2O3
Molecular Weight: 132.1190
Inchikey: DCXYFEDJOCDNAF-REOHCLBHSA-N
Inchi: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Isomeric Smiles: C([C@@H](C(=O)O)N)C(=O)N
Cas Id: 70-47-3
Ob Score: 83.9580
Mol Logp: -1.7263
Num H Donors: 3
Num H Acceptors: 3
Num Rotatable Bonds: 3
Drug Likeness: 0.4240
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Asparamide

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ｌ- Asparagine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Asparagine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Asparagine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Asparamide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Asparamide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Asparamide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

asparamide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ｌ- Asparagine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ｌ- asparagine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ｌ-asparagine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(+/-)-2-Aminosuccinic acid 4-amide, DL-Aspartic acid 4-amide

Role

alias

Source

TCMBank

Preferred

Name

(+/-)-2-Aminosuccinic acid 4-amide, DL-Aspartic acid 4-amide

Role

alias

Source

SymMap_v2

Preferred

Name

(S)-asparagine

Role

alias

Source

HERB_v2

Preferred

Name

(S)-asparagine

Role

alias

Source

itcmdb_public

Preferred

Name

2,4-bis(azanyl)-4-oxidanylidene-butanoic acid hydrate

Role

alias

Source

TCMBank

Preferred

Name

2,4-bis(azanyl)-4-oxidanylidene-butanoic acid hydrate

Role

alias

Source

SymMap_v2

Preferred

Name

2,4-diamino-4-oxobutanoic acid

Role

alias

Source

TCMBank

Preferred

Name

2,4-diamino-4-oxobutanoic acid hydrate

Role

alias

Source

TCMBank

Preferred

Name

2,4-diamino-4-oxobutanoic acid hydrate

Role

alias

Source

SymMap_v2

Preferred

Name

2-amino-3-carbamoylpropanoic acid hydrate

Role

alias

Source

SymMap_v2

Preferred

Name

2-amino-3-carbamoylpropanoic acid, hydrate

Role

alias

Source

TCMBank

Preferred

Name

3130-87-8

Role

alias

Source

SymMap_v2

Preferred

Name

3130-87-8

Role

alias

Source

TCMBank

Preferred

Name

69833-18-7

Role

alias

Source

TCMBank

Preferred

Name

69833-18-7

Role

alias

Source

SymMap_v2

Preferred

Name

70-47-3

Role

alias

Source

HERB_v2

Preferred

Name

70-47-3

Role

alias

Source

itcmdb_public

Preferred

Name

A814724

Role

alias

Source

SymMap_v2

Preferred

Name

A814724

Role

alias

Source

TCMBank

Preferred

Name

AC-24125

Role

alias

Source

SymMap_v2

Preferred

Name

AC-24125

Role

alias

Source

TCMBank

Preferred

Name

AC1LAWTA

Role

alias

Source

SymMap_v2

Preferred

Name

AC1LAWTA

Role

alias

Source

TCMBank

Preferred

Name

AC1Q59B4

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q59B4

Role

alias

Source

TCMBank

Preferred

Name

ACMC-1B5BG

Role

alias

Source

TCMBank

Preferred

Name

ACMC-1B5BG

Role

alias

Source

SymMap_v2

Preferred

Name

ACMC-209fc6

Role

alias

Source

SymMap_v2

Preferred

Name

ACMC-209fc6

Role

alias

Source

TCMBank

Preferred

Name

ACMC-209m1g

Role

alias

Source

TCMBank

Preferred

Name

ACMC-209m1g

Role

alias

Source

SymMap_v2

Preferred

Name

AK-44638

Role

alias

Source

SymMap_v2

Preferred

Name

AK-44638

Role

alias

Source

TCMBank

Preferred

Name

AK319289

Role

alias

Source

TCMBank

Preferred

Name

AK319289

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS016001349

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS016001349

Role

alias

Source

TCMBank

Preferred

Name

AM20090442

Role

alias

Source

TCMBank

Preferred

Name

AM20090442

Role

alias

Source

SymMap_v2

Preferred

Name

AN-37801

Role

alias

Source

SymMap_v2

Preferred

Name

AN-37801

Role

alias

Source

TCMBank

Preferred

Name

AN-947

Role

alias

Source

SymMap_v2

Preferred

Name

AN-947

Role

alias

Source

TCMBank

Preferred

Name

ANW-27079

Role

alias

Source

TCMBank

Preferred

Name

ANW-27079

Role

alias

Source

SymMap_v2

Preferred

Name

AS-12270

Role

alias

Source

SymMap_v2

Preferred

Name

AS-12270

Role

alias

Source

TCMBank

Preferred

Name

ASPARAGINE HYDRATE

Role

alias

Source

SymMap_v2

Preferred

Name

ASPARAGINE HYDRATE

Role

alias

Source

TCMBank

Preferred

Name

Asparagine, d-l-, monohydrate

Role

alias

Source

SymMap_v2

Preferred

Name

Asparagine, d-l-, monohydrate

Role

alias

Source

TCMBank

Preferred

Name

Asparagine, monohydrate(9CI)

Role

alias

Source

TCMBank

Preferred

Name

Asparagine, monohydrate(9CI)

Role

alias

Source

SymMap_v2

Preferred

Name

Asparamide

Role

alias

Source

itcmdb_public

Preferred

Name

Asparamide

Role

alias

Source

HERB_v2

Preferred

Name

Aspartamic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Aspartamic acid

Role

alias

Source

HERB_v2

Preferred

Name

BG01499101

Role

alias

Source

TCMBank

Preferred

Name

BG01499101

Role

alias

Source

SymMap_v2

Preferred

Name

C4H8N2O3.H2O

Role

alias

Source

SymMap_v2

Preferred

Name

C4H8N2O3.H2O

Role

alias

Source

TCMBank

Preferred

Name

CTK5D1417

Role

alias

Source

SymMap_v2

Preferred

Name

CTK5D1417

Role

alias

Source

TCMBank

Preferred

Name

Crystal VI

Role

alias

Source

itcmdb_public

Preferred

Name

Crystal VI

Role

alias

Source

HERB_v2

Preferred

Name

D,L-Asn.H2O

Role

alias

Source

SymMap_v2

Preferred

Name

D,L-Asn.H2O

Role

alias

Source

TCMBank

Preferred

Name

D-(-)-Asparagine monohydrate

Role

alias

Source

TCMBank

Preferred

Name

D-(-)-Asparagine monohydrate

Role

alias

Source

SymMap_v2

Preferred

Name

D-alpha-Aminosuccinamic Acid

Role

alias

Source

SymMap_v2

Preferred

Name

D-alpha-Aminosuccinamic Acid

Role

alias

Source

TCMBank

Preferred

Name

DL-Asparagine monohydrate

Role

alias

Source

SymMap_v2

Preferred

Name

DL-Asparagine monohydrate, >=99.0% (NT)

Role

alias

Source

TCMBank

Preferred

Name

DL-Asparagine monohydrate, >=99.0% (NT)

Role

alias

Source

SymMap_v2

Preferred

Name

DL-Asparaginemonohydrate

Role

alias

Source

TCMBank

Preferred

Name

Dl-Asparagine Hydrate

Role

alias

Source

SymMap_v2

Preferred

Name

Dl-Asparagine Hydrate

Role

alias

Source

TCMBank

Preferred

Name

EN300-71864

Role

alias

Source

TCMBank

Preferred

Name

EN300-71864

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0609962

Role

alias

Source

TCMBank

Preferred

Name

FT-0609962

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0625440

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0625440

Role

alias

Source

TCMBank

Preferred

Name

H-Asn-OH

Role

alias

Source

HERB_v2

Preferred

Name

H-Asn-OH

Role

alias

Source

itcmdb_public

Preferred

Name

H-DL-Asn-OH

Role

alias

Source

TCMBank

Preferred

Name

H-DL-Asn-OH

Role

alias

Source

SymMap_v2

Preferred

Name

I04-0293

Role

alias

Source

SymMap_v2

Preferred

Name

I04-0293

Role

alias

Source

TCMBank

Preferred

Name

KB-164589

Role

alias

Source

TCMBank

Preferred

Name

KB-164589

Role

alias

Source

SymMap_v2

Preferred

Name

KB-50279

Role

alias

Source

TCMBank

Preferred

Name

KB-50279

Role

alias

Source

SymMap_v2

Preferred

Name

KS-00000KIH

Role

alias

Source

SymMap_v2

Preferred

Name

KS-00000KIH

Role

alias

Source

TCMBank

Preferred

Name

L-Asparagine Monohydrate

Role

alias

Source

SymMap_v2

Preferred

Name

L-Asparagine Monohydrate

Role

alias

Source

TCMBank

Preferred

Name

L-asparagine

Role

alias

Source

HERB_v2

Preferred

Name

L-asparagine

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00151039

Role

alias

Source

SymMap_v2

Preferred

Name

MFCD00151039

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-766-703

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-766-703

Role

alias

Source

SymMap_v2

Preferred

Name

RBMGJIZCEWRQES-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

RBMGJIZCEWRQES-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

RTR-013321

Role

alias

Source

TCMBank

Preferred

Name

RTR-013321

Role

alias

Source

SymMap_v2

Preferred

Name

SBB058664

Role

alias

Source

TCMBank

Preferred

Name

SBB058664

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL50254

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL50254

Role

alias

Source

TCMBank

Preferred

Name

ST2419262

Role

alias

Source

SymMap_v2

Preferred

Name

ST2419262

Role

alias

Source

TCMBank

Preferred

Name

ST50824199

Role

alias

Source

TCMBank

Preferred

Name

ST50824199

Role

alias

Source

SymMap_v2

Preferred

Name

TRA0016947

Role

alias

Source

SymMap_v2

Preferred

Name

TRA0016947

Role

alias

Source

TCMBank

Preferred

Name

TRA0047172

Role

alias

Source

TCMBank

Preferred

Name

TRA0047172

Role

alias

Source

SymMap_v2

Preferred

Name

VC30810

Role

alias

Source

TCMBank

Preferred

Name

VC30810

Role

alias

Source

SymMap_v2

Preferred

Name

agedoite

Role

alias

Source

HERB_v2

Preferred

Name

agedoite

Role

alias

Source

itcmdb_public

Preferred

Name

altheine

Role

alias

Source

HERB_v2

Preferred

Name

altheine

Role

alias

Source

itcmdb_public

Preferred

Name

asparagin hydrate

Role

alias

Source

TCMBank

Preferred

Name

asparagin hydrate

Role

alias

Source

SymMap_v2

Preferred

Name

asparagine

Role

alias

Source

itcmdb_public

Preferred

Name

asparagine

Role

alias

Source

HERB_v2

Preferred

Name

hydrate

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Ｌ- AsparagineAsparagineＬ-asparagine(+/-)-2-Aminosuccinic acid 4-amide, DL-Aspartic acid 4-amide(S)-asparagine2,4-bis(azanyl)-4-oxidanylidene-butanoic acid hydrate2,4-diamino-4-oxobutanoic acid2,4-diamino-4-oxobutanoic acid hydrate2-amino-3-carbamoylpropanoic acid hydrate2-amino-3-carbamoylpropanoic acid, hydrate3130-87-869833-18-770-47-3A814724AC-24125AC1LAWTAAC1Q59B4ACMC-1B5BGACMC-209fc6ACMC-209m1gAK-44638AK319289AKOS016001349AM20090442AN-37801AN-947ANW-27079AS-12270ASPARAGINE HYDRATEAsparagine, d-l-, monohydrateAsparagine, monohydrate(9CI)Aspartamic acidBG01499101C4H8N2O3.H2OCTK5D1417Crystal VID,L-Asn.H2OD-(-)-Asparagine monohydrateD-alpha-Aminosuccinamic AcidDL-Asparagine monohydrateDL-Asparagine monohydrate, >=99.0% (NT)DL-AsparaginemonohydrateDl-Asparagine HydrateEN300-71864FT-0609962FT-0625440H-Asn-OHH-DL-Asn-OHI04-0293KB-164589KB-50279KS-00000KIHL-Asparagine MonohydrateL-asparagineMFCD00151039MolPort-001-766-703RBMGJIZCEWRQES-UHFFFAOYSA-NRTR-013321SBB058664SCHEMBL50254ST2419262ST50824199TRA0016947TRA0047172VC30810agedoitealtheineasparagin hydratehydrate

Cross References

Trusted external identifiers retained for this final record.

Cas

32640-57-670-47-3

Herb

HBIN017095HBIN017096HBIN017103

Npass

NPC34908

Tcmid

186623609237122468437623

Tcmsp

MOL000429

Sym Map

SMIT01827SMIT01867SMIT02242SMIT02630SMIT03035SMIT27688

Tcm Id

306065696575

Pub Chem

6267

Tcmbank

TCMBANKIN006823TCMBANKIN057926

Drug Bank

DB00174

Etcm Ingredient

Asparagine

Itcmdb Generated

ITX-INGREDIENT-880A00094448ITX-INGREDIENT-F0E29F95A1C9

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredients,Other ingredientsOther ingredients

In Ch I

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

Mol Wt

132.119

Cas Id

70-47-332640-57-6

Smiles

C(C(C(=O)O)N)C(=O)N

Mol Log P

-1.726299999999999

Version

v1,v2v2

In Ch Ikey

DCXYFEDJOCDNAF-REOHCLBHSA-N

Ob Score

83.958

Suppress

Num Hdonors

Drug Likeness

0.424

Num Hacceptors

Isomeric Smiles

C([C@@H](C(=O)O)N)C(=O)N

Molecule Weight

132.118

Canonical Smiles

C(C(C(=O)O)N)C(=O)N

Herb Alias Names

L-asparagine70-47-3(S)-asparagineAspartamic acidH-Asn-OHagedoitealtheineAsparamideCrystal VI

Molecular Weight

132.050

Molecular Weight

132.12 g/mol

Molecule Formula

C4H8N2O3

Molecular Formula

C4H8N2O3

Molecular Formula

C4H8N2O3

Molecular Formula

C4H8N2O3

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.005

Quantitative Estimate Of Drug Likeness（Qed）

0.424