Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35660
- Core Entity Id
- 42825
- Source Entity Count
- 1
- Preferred Name
- Tricine
- Name En
- Pubchem Id
- 79784
- Smiles Canonical
- C(C(=O)O)NC(CO)(CO)CO
- Molecular Formula
- C6H13NO5
- Molecular Weight
- 179.1720
- Inchikey
- SEQKRHFRPICQDD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
- Isomeric Smiles
- C(C(=O)O)NC(CO)(CO)CO
- Cas Id
- 1389475
- Ob Score
- 88.2429
- Mol Logp
- -2.6237
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tricine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tricine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tricine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tricine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tricine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tricine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-[(2-hydroxy-1,1-dimethylol-ethyl)amino]acetic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]acetic acid
Role
alias
Source
TCMBank
Preferred
No
Name
5704-04-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5704-04-1
Role
alias
Source
TCMBank
Preferred
No
Name
5704-04-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
93356_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-62523
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:39063
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 227-193-6
Role
alias
Source
TCMBank
Preferred
No
Name
Glycine, N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
Glycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00004277
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00004277
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(Tri(hydroxymethyl)methyl)glycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(Tri(hydroxymethyl)methyl)glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(Tri(hydroxymethyl)methyl)glycine
Role
alias
Source
TCMBank
Preferred
No
Name
N-Tris(hydroxymethyl)methylglycine
Role
alias
Source
TCMBank
Preferred
No
Name
N-Tris(hydroxymethyl)methylglycine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine
Role
alias
Source
TCMBank
Preferred
No
Name
N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[Tris(hydroxymethyl)methyl]glycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 369995
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 369995
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC369995
Role
alias
Source
TCMBank
Preferred
No
Name
ST5308629
Role
alias
Source
TCMBank
Preferred
No
Name
T0377_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
T1074_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
T5816_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
T9784_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-[(2-hydroxy-1,1-dimethylol-ethyl)amino]acetic acid2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanoic acid2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]acetic acid5704-04-193356_FLUKAAI3-62523CHEBI:39063EINECS 227-193-6Glycine, N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-Glycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-MFCD00004277N-(Tri(hydroxymethyl)methyl)glycineN-Tris(hydroxymethyl)methylglycineN-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycineN-[Tris(hydroxymethyl)methyl]glycineNSC 369995NSC369995ST5308629T0377_SIGMAT1074_SIGMAT5816_SIGMAT9784_SIGMA
Cross References
Trusted external identifiers retained for this final record.
Cas
5704-04-1
Herb
HBIN046971
Tcmsp
MOL001882
Sym Map
SMIT04231
Pub Chem
79784
Tcmbank
TCMBANKIN003303
Etcm Ingredient
Tricine
Itcmdb Generated
ITX-INGREDIENT-D160A3814CC5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
Mol Wt
179.172
Cas Id
1389475
Smiles
C(C(=O)O)NC(CO)(CO)CO
Mol Log P
-2.623699999999999
Version
v1,v2
In Ch Ikey
SEQKRHFRPICQDD-UHFFFAOYSA-N
Ob Score
88.24294688.2429462888.243
Suppress
0
Num Hdonors
5
Drug Likeness
0.305
Num Hacceptors
5
Isomeric Smiles
C(C(=O)O)NC(CO)(CO)CO
Molecule Weight
179.2
Canonical Smiles
C(C(=O)O)NC(CO)(CO)CO
Herb Alias Names
5704-04-1N-Tris(hydroxymethyl)methylglycineN-(Tri(hydroxymethyl)methyl)glycineN-[Tris(hydroxymethyl)methyl]glycineGlycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycineMFCD00004277NSC 3699952-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
Molecular Weight
179.080
Molecular Weight
179.17 g/mol
Molecular Formula
C6H13NO5
Molecular Formula
C6H13NO5
Molecular Formula
C6H13NO5
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.305