Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 2Herb: 12Ingredient: 1Meta-analysis: 7Target: 24Links: 45
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24452
- Core Entity Id
- 30367
- Source Entity Count
- 1
- Preferred Name
- Leucine
- Name En
- Pubchem Id
- 6106
- Smiles Canonical
- CC(C)CC(C(=O)O)N
- Molecular Formula
- C6H13NO2
- Molecular Weight
- 131.1750
- Inchikey
- ROHFNLRQFUQHCH-YFKPBYRVSA-N
- Inchi
- InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
- Isomeric Smiles
- CC(C)C[C@@H](C(=O)O)N
- Cas Id
- 71000-80-1
- Ob Score
- 72.9189
- Mol Logp
- 0.4444
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-Leucine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Leucine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Leucinum
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
L-(+)-Leucine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-Leucine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
L-leucine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-leucine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leucine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Leucine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leucine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Leucinum
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Leucinum
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Leucinum
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leucinum
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Leucinum
Role
preferred
Source
TCMBank
Preferred
Yes
Name
l-leucine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
leucine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(14C)Leucine, L-
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-4-methyl-pentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-4-methyl-valeric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-4-methylpentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-amino-4-methylpentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-ammonio-4-methylpentanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2S)-2-ammonio-4-methylpentanoate
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-azaniumyl-4-methylpentanoate
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-azaniumyl-4-methylpentanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3H)Leucine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(+)-Leucine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Amino-4-methylpentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Amino-4-methylpentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-2-Amino-4-methylpentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Amino-4-methylvaleric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-Leucine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-Leucine
Role
alias
Source
HERB_v2
Preferred
No
Name
14C-Leucine
Role
alias
Source
TCMBank
Preferred
No
Name
2-Amino-4-methyl-valeric acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Amino-4-methylpentanoic acid (L)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Amino-4-methylpentanoic acid, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Amino-4-methylvaleric acid (L)
Role
alias
Source
TCMBank
Preferred
No
Name
21675-61-6
Role
alias
Source
TCMBank
Preferred
No
Name
25248-98-0
Role
alias
Source
TCMBank
Preferred
No
Name
3b3s
Role
alias
Source
SymMap_v2
Preferred
No
Name
3b3s
Role
alias
Source
TCMBank
Preferred
No
Name
3b3w
Role
alias
Source
SymMap_v2
Preferred
No
Name
3b3w
Role
alias
Source
TCMBank
Preferred
No
Name
3f3e
Role
alias
Source
SymMap_v2
Preferred
No
Name
3f3e
Role
alias
Source
TCMBank
Preferred
No
Name
3gjd
Role
alias
Source
TCMBank
Preferred
No
Name
3gjd
Role
alias
Source
SymMap_v2
Preferred
No
Name
4fxz
Role
alias
Source
TCMBank
Preferred
No
Name
4fxz
Role
alias
Source
SymMap_v2
Preferred
No
Name
61-90-5
Role
alias
Source
HERB_v2
Preferred
No
Name
61-90-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
61819_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
70-45-1
Role
alias
Source
TCMBank
Preferred
No
Name
71000-80-1
Role
alias
Source
TCMBank
Preferred
No
Name
72706_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
A833479
Role
alias
Source
SymMap_v2
Preferred
No
Name
A833479
Role
alias
Source
TCMBank
Preferred
No
Name
AC1OF6E5
Role
alias
Source
TCMBank
Preferred
No
Name
AC1OF6E5
Role
alias
Source
SymMap_v2
Preferred
No
Name
AI3-08899
Role
alias
Source
TCMBank
Preferred
No
Name
C00123
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15603
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:57427
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:57427
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-10705
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-10705
Role
alias
Source
SymMap_v2
Preferred
No
Name
D00030
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-522-0
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3297
Role
alias
Source
TCMBank
Preferred
No
Name
H-Leu-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-Leu-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s
Role
alias
Source
TCMBank
Preferred
No
Name
L-2-Amino-4-methylpentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leu
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leu
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Leucin
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leucine (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leucine, homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leucine, labeled with carbon-14
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leucine, labeled with tritium
Role
alias
Source
TCMBank
Preferred
No
Name
L-Leuzin
Role
alias
Source
TCMBank
Preferred
No
Name
L-Norvaline, 4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
L-alpha-Aminoisocaproic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-leucine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-leucine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-leucine zwitterion
Role
alias
Source
TCMBank
Preferred
No
Name
L-leucine zwitterion
Role
alias
Source
SymMap_v2
Preferred
No
Name
L6914_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
L8000_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
L8912_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Leucin
Role
alias
Source
HERB_v2
Preferred
No
Name
Leucin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Leucin [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Leucina [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Leucina [Latin,Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Leucine (H-3)
Role
alias
Source
TCMBank
Preferred
No
Name
Leucine (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Leucine (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Leucine [USAN:INN]
Role
alias
Source
TCMBank
Preferred
No
Name
Leucinum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00013565
Role
alias
Source
TCMBank
Preferred
No
Name
NCI46709
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc1_001860
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc2_000010
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-46709
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(L-leucine)
Role
alias
Source
TCMBank
Preferred
No
Name
Valeric acid, 2-amino-4-methyl-, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
W329703_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-aminoisocaproic acid
Role
alias
Source
TCMBank
Preferred
No
Name
l-(14C)Leucine
Role
alias
Source
TCMBank
Preferred
No
Name
leu
Role
alias
Source
HERB_v2
Preferred
No
Name
leu
Role
alias
Source
itcmdb_public
Preferred
No
Name
leucine
Role
alias
Source
SymMap_v2
Preferred
No
Name
leucine
Role
alias
Source
TCMBank
Preferred
No
Name
leucine
Role
alias
Source
itcmdb_public
Preferred
No
Name
leucine
Role
alias
Source
HERB_v2
Preferred
No
Name
leucine zwitterion
Role
alias
Source
SymMap_v2
Preferred
No
Name
leucine zwitterion
Role
alias
Source
TCMBank
Preferred
No
Name
polyleucine
Role
alias
Source
TCMBank
Preferred
No
Name
Dle
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
DLE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R)-2-amino-4-methyl-pentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-4-methyl-valeric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-4-methylpentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Amino-4-methylpentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-Leucine
Role
alias
Source
itcmdb_public
Preferred
No
Name
328-38-1
Role
alias
Source
HERB_v2
Preferred
No
Name
61830_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
855448_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
C01570
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28225
Role
alias
Source
TCMBank
Preferred
No
Name
D-2-Amino-4-methylvaleric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-LEUCINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Leu
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Leucin
Role
alias
Source
TCMBank
Preferred
No
Name
D-Leucine
Role
alias
Source
TCMBank
Preferred
No
Name
D-Leuzin
Role
alias
Source
TCMBank
Preferred
No
Name
H-D-Leu-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9
Role
alias
Source
TCMBank
Preferred
No
Name
Leucine, D-
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00163335-01
Role
alias
Source
TCMBank
Preferred
No
Name
SBB006736
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
L-LeucineLeucinumL-(+)-Leucine(14C)Leucine, L-(2S)-2-amino-4-methyl-pentanoic acid(2S)-2-amino-4-methyl-valeric acid(2S)-2-amino-4-methylpentanoic acid(2S)-2-ammonio-4-methylpentanoate(2S)-2-azaniumyl-4-methylpentanoate(3H)Leucine(S)-(+)-Leucine(S)-2-Amino-4-methylpentanoic acid(S)-2-Amino-4-methylvaleric acid(S)-Leucine14C-Leucine2-Amino-4-methyl-valeric acid2-Amino-4-methylpentanoic acid (L)2-Amino-4-methylpentanoic acid, (S)-2-Amino-4-methylvaleric acid (L)21675-61-625248-98-03b3s3b3w3f3e3gjd4fxz61-90-561819_FLUKA70-45-171000-80-172706_FLUKAA833479AC1OF6E5AI3-08899C00123CHEBI:15603CHEBI:57427CJ-10705D00030EINECS 200-522-0FEMA No. 3297H-Leu-OHInChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/sL-2-Amino-4-methylpentanoic acidL-LeuL-LeucinL-Leucine (JP15)L-Leucine, homopolymerL-Leucine, labeled with carbon-14L-Leucine, labeled with tritiumL-LeuzinL-Norvaline, 4-methyl-L-alpha-Aminoisocaproic acidL-leucine zwitterionL6914_SIALL8000_SIGMAL8912_SIGMALeucinLeucin [German]Leucina [INN-Spanish]Leucina [Latin,Spanish]Leucine (H-3)Leucine (USP)Leucine (VAN)Leucine [USAN:INN]Leucinum [INN-Latin]NCGC00013565NCI46709NCIStruc1_001860NCIStruc2_000010NSC-46709Poly(L-leucine)Valeric acid, 2-amino-4-methyl-, (S)-W329703_ALDRICHalpha-aminoisocaproic acidl-(14C)Leucineleuleucine zwitterionpolyleucineDle(2R)-2-amino-4-methyl-pentanoic acid(2R)-2-amino-4-methyl-valeric acid(2R)-2-amino-4-methylpentanoic acid(R)-2-Amino-4-methylpentanoic acid(R)-Leucine328-38-161830_FLUKA855448_ALDRICHC01570CHEBI:28225D-2-Amino-4-methylvaleric acidD-LEUCINED-LeuD-LeucinD-LeuzinH-D-Leu-OHInChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9Leucine, D-NCGC00163335-01SBB006736
Cross References
Trusted external identifiers retained for this final record.
Cas
71000-80-1328-38-1
Herb
HBIN032990HBIN032992HBIN033427HBIN024306
Npass
NPC49103
Tcmid
2384724709
Tcmsp
MOL005448MOL005558
Sym Map
SMIT01911SMIT07203SMIT25038SMIT07300
Tcm Id
2917
Pub Chem
61067045798439524
Tcmbank
TCMBANKIN031136TCMBANKIN059238TCMBANKIN018897
Etcm Ingredient
L-(+)-LeucineLeucinumleucine
Itcmdb Generated
ITX-INGREDIENT-3F3C36472F6DITX-INGREDIENT-7E2F60F8D4BEITX-INGREDIENT-89E6E945BF28ITX-INGREDIENT-9EAEBD7A6433
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredients,Metabolic ingredientsOther ingredients
In Ch I
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
Mol Wt
131.175
Smiles
CC(C)CC(C(=O)O)NCC(C)CC(C(=O)[O-])[NH3+]
Mol Log P
0.4444
Version
v1,v2v2
In Ch Ikey
ROHFNLRQFUQHCH-YFKPBYRVSA-N
Ob Score
72.9188817772.91888272.919
Suppress
0
Num Hdonors
2
Drug Likeness
0.584
Num Hacceptors
2
Isomeric Smiles
CC(C)C[C@@H](C(=O)O)N
Molecule Weight
131.2
Canonical Smiles
CC(C)CC(C(=O)O)N
Herb Alias Names
L-leucine61-90-5(S)-LeucineH-Leu-OH(S)-2-Amino-4-methylpentanoic acid(2S)-2-amino-4-methylpentanoic acidLeucin(S)-(+)-Leucineleu
Molecular Weight
131.090265.130
Molecular Weight
131.17 g/mol
Molecule Formula
C6H13NO2
Molecular Formula
C14H19NO4C6H13NO2
Molecular Formula
C6H13NO2
Molecular Formula
C6H13NO2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.0080.010
Quantitative Estimate Of Drug Likeness（Qed）
0.5840.828