Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19693
- Core Entity Id
- 25071
- Source Entity Count
- 1
- Preferred Name
- Gamma-glu-ala-gly
- Name En
- Pubchem Id
- 5489007
- Smiles Canonical
- CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
- Molecular Formula
- C10H17N3O6
- Molecular Weight
- 275.2610
- Inchikey
- RPVCUZZJCXVVDW-WDSKDSINSA-N
- Inchi
- InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
- Isomeric Smiles
- C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
- Cas Id
- 684321
- Ob Score
- 47.6090
- Mol Logp
- -2.1160
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gamma-Glu-Ala-Gly
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gamma-Glu-Ala-Gly
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gamma-glu-ala-gly
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gamma-glu-ala-gly
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
gamma-Glu-ala-gly
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1116-21-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
1116-21-8
Role
alias
Source
HERB_v2
Preferred
No
Name
16305-88-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
16305-88-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:143251
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:143251
Role
alias
Source
HERB_v2
Preferred
No
Name
L-gamma-glutamyl-L-alanylglycine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-gamma-glutamyl-L-alanylglycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norophthalamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norophthalamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Norophthalmic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Norophthalmic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
gamma-Glutamyl-alanyl-glycine
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-glutamylalanylglycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Noropthalmic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Noropthalmicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
裙带菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QUN DAI CA
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid1116-21-816305-88-7CHEBI:143251L-gamma-glutamyl-L-alanylglycineNorophthalamic acidNorophthalmic acidgamma-Glutamyl-alanyl-glycinegamma-glutamylalanylglycineNoropthalmic acidNoropthalmicacid裙带菜QUN DAI CA
Cross References
Trusted external identifiers retained for this final record.
Cas
3773-08-8
Herb
HBIN027130HBIN037369
Tcmid
15775
Tcmsp
MOL010614
Sym Map
SMIT11635
Pub Chem
5489007161173
Tcmbank
TCMBANKIN015304
Etcm Ingredient
gamma-Glu-ala-glyNoropthalmic acid
Itcmdb Generated
ITX-INGREDIENT-2B889E81874EITX-INGREDIENT-81F7A2412487ITX-INGREDIENT-B7A3D19FD78E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Mol Wt
275.261
Cas Id
684321
Mol Log P
-2.115999999999998
Version
v1,v2
In Ch Ikey
RPVCUZZJCXVVDW-WDSKDSINSA-N
Ob Score
47.60947.60910311
Suppress
0
Tcm Name
裙带菜
Tcm Name2
QUN DAI CA
Mol2 Path
/TCM_database/2007_3d_all/15784.mol2
Reference
2735
Num Hdonors
5
Drug Likeness
0.338
Num Hacceptors
5
Isomeric Smiles
C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Molecule Weight
275.3
Canonical Smiles
CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Herb Alias Names
Norophthalamic acidNorophthalmic acid16305-88-7gamma-Glutamyl-alanyl-glycineL-gamma-glutamyl-L-alanylglycine1116-21-8(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidgamma-glutamylalanylglycineCHEBI:143251
Molecular Weight
275.110
Molecular Formula
C10H17N3O6
Molecular Formula
C10H17N3O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.338