IngredientID 24137

Laminine

C9H20N2O2

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

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 24137
Core Entity Id: 30014
Source Entity Count: 1
Preferred Name: Laminine
Name En
Pubchem Id: 159659
Smiles Canonical: C[N+](C)(C)CCCCC(C(=O)[O-])N
Molecular Formula: C9H20N2O2
Molecular Weight: 188.2710
Inchikey: MXNRLFUSFKVQSK-UHFFFAOYSA-N
Inchi: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3
Isomeric Smiles: C[N+](C)(C)CCCCC(C(=O)[O-])N
Cas Id: 2408-79-9
Ob Score: 0.2940
Mol Logp: -1.0599
Num H Donors: 1
Num H Acceptors: 3
Num Rotatable Bonds: 6
Drug Likeness: 0.4270
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Laminine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Laminine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Laminine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Laminine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Laminine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

laminine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

昆布

Role

TCM_name

Source

TCMBank

Preferred

Name

KUN BU

Role

TCM_name2

Source

TCMBank

Preferred

Name

Kelp Thallus

Role

TCM_name_en

Source

TCMBank

Preferred

Name

"NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE"

Role

alias

Source

itcmdb_public

Preferred

Name

"NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE"

Role

alias

Source

HERB_v2

Preferred

Name

(2S)-2-amino-6-(trimethylazaniumyl)hexanoate

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-amino-6-(trimethylazaniumyl)hexanoate

Role

alias

Source

SymMap_v2

Preferred

Name

(S)-2-amino-6-(trimethylammonio)hexanoate

Role

alias

Source

SymMap_v2

Preferred

Name

(S)-2-amino-6-(trimethylammonio)hexanoate

Role

alias

Source

TCMBank

Preferred

Name

(S)-2-amino-6-(trimethylammonio)hexanoic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(S)-2-amino-6-(trimethylammonio)hexanoic acid

Role

alias

Source

TCMBank

Preferred

Name

1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, hydroxide, inner salt

Role

alias

Source

itcmdb_public

Preferred

Name

1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, hydroxide, inner salt

Role

alias

Source

HERB_v2

Preferred

Name

2-amino-6-(trimethylazaniumyl)hexanoate

Role

alias

Source

HERB_v2

Preferred

Name

2-amino-6-(trimethylazaniumyl)hexanoate

Role

alias

Source

itcmdb_public

Preferred

Name

23284-33-5

Role

alias

Source

SymMap_v2

Preferred

Name

23284-33-5

Role

alias

Source

TCMBank

Preferred

Name

2408-79-9

Role

alias

Source

HERB_v2

Preferred

Name

2408-79-9

Role

alias

Source

itcmdb_public

Preferred

Name

5-Amino-5-carboxypentyltrimethylammonium

Role

alias

Source

itcmdb_public

Preferred

Name

5-Amino-5-carboxypentyltrimethylammonium

Role

alias

Source

HERB_v2

Preferred

Name

AC1L98PS

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L98PS

Role

alias

Source

TCMBank

Preferred

Name

AKOS006272412

Role

alias

Source

TCMBank

Preferred

Name

AKOS006272412

Role

alias

Source

SymMap_v2

Preferred

Name

C-53472

Role

alias

Source

TCMBank

Preferred

Name

C-53472

Role

alias

Source

SymMap_v2

Preferred

Name

C03793

Role

alias

Source

SymMap_v2

Preferred

Name

C03793

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:181720

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:181720

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID70946921

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID70946921

Role

alias

Source

itcmdb_public

Preferred

Name

FT-0695852

Role

alias

Source

TCMBank

Preferred

Name

FT-0695852

Role

alias

Source

SymMap_v2

Preferred

Name

HMBOA tetrahexose

Role

alias

Source

itcmdb_public

Preferred

Name

HMBOA tetrahexose

Role

alias

Source

HERB_v2

Preferred

Name

N-EPSILON,N-EPSILON,N-EPSILON-TRIMETHYLLYSINE

Role

alias

Source

SymMap_v2

Preferred

Name

N-EPSILON,N-EPSILON,N-EPSILON-TRIMETHYLLYSINE

Role

alias

Source

TCMBank

Preferred

Name

N6,N6,N6-Trimethyl-L-lysine

Role

alias

Source

SymMap_v2

Preferred

Name

N6,N6,N6-Trimethyl-L-lysine

Role

alias

Source

TCMBank

Preferred

Name

S)-5-amino-5-carboxy-N,N,N-trimethyl-1-pentanaminium

Role

alias

Source

SymMap_v2

Preferred

Name

S)-5-amino-5-carboxy-N,N,N-trimethyl-1-pentanaminium

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL21225594

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL21225594

Role

alias

Source

itcmdb_public

Preferred

Name

Trimethyllysine

Role

alias

Source

TCMBank

Preferred

Name

Trimethyllysine

Role

alias

Source

SymMap_v2

Preferred

Name

delta-trimethyllysine

Role

alias

Source

SymMap_v2

Preferred

Name

delta-trimethyllysine

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

昆布KUN BUKelp Thallus"NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE"(2S)-2-amino-6-(trimethylazaniumyl)hexanoate(S)-2-amino-6-(trimethylammonio)hexanoate(S)-2-amino-6-(trimethylammonio)hexanoic acid1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, hydroxide, inner salt2-amino-6-(trimethylazaniumyl)hexanoate23284-33-52408-79-95-Amino-5-carboxypentyltrimethylammoniumAC1L98PSAKOS006272412C-53472C03793CHEBI:181720DTXSID70946921FT-0695852HMBOA tetrahexoseN-EPSILON,N-EPSILON,N-EPSILON-TRIMETHYLLYSINEN6,N6,N6-Trimethyl-L-lysineS)-5-amino-5-carboxy-N,N,N-trimethyl-1-pentanaminiumSCHEMBL21225594Trimethyllysinedelta-trimethyllysine

Cross References

Trusted external identifiers retained for this final record.

Cas

2408-79-9

Herb

HBIN032592

Tcmid

12452

Tcmsp

MOL010619

Sym Map

SMIT00305

Tcm Id

20259231133079

Pub Chem

159659159660

Tcmbank

TCMBANKIN043561

Etcm Ingredient

laminine

Itcmdb Generated

ITX-INGREDIENT-CA7CE7F37143

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3

Mol Wt

188.271

Cas Id

2408-79-9

Mol Log P

-1.059899999999997

Version

v1,v2

In Ch Ikey

MXNRLFUSFKVQSK-UHFFFAOYSA-N

Ob Score

0.2940.2943560.294356073

Suppress

Tcm Name

昆布

Tcm Name2

KUN BU

Mol2 Path

/TCM_database/2007_3d_all/12457.mol2

Reference

5, 6

Num Hdonors

Tcm Name En

Kelp Thallus

Drug Likeness

0.427

Num Hacceptors

Isomeric Smiles

C[N+](C)(C)CCCCC(C(=O)[O-])N

Molecule Weight

188.31

Canonical Smiles

C[N+](C)(C)CCCCC(C(=O)[O-])N

Herb Alias Names

2408-79-92-amino-6-(trimethylazaniumyl)hexanoate5-Amino-5-carboxypentyltrimethylammoniumHMBOA tetrahexoseSCHEMBL21225594DTXSID70946921CHEBI:181720"NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE"1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, hydroxide, inner salt

Molecular Weight

189.160

Molecular Weight

189.28 g/mol

Molecule Formula

C9H20N2O2

Molecular Formula

C9H21N2O2+

Molecular Formula

C9H20N2O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.402

Quantitative Estimate Of Drug Likeness（Qed）

0.466