Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 8Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10321
- Core Entity Id
- 14632
- Source Entity Count
- 1
- Preferred Name
- Alpha-d-glucuronic acid
- Name En
- Pubchem Id
- 444791
- Smiles Canonical
- C1(C(C(OC(C1O)O)C(=O)O)O)O
- Molecular Formula
- C6H10O7
- Molecular Weight
- 194.1390
- Inchikey
- AEMOLEFTQBMNLQ-WAXACMCWSA-N
- Inchi
- InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
- Isomeric Smiles
- [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
- Cas Id
- 128397-88-6
- Ob Score
- 63.1277
- Mol Logp
- -3.1291
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-D-Glucuronic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Alpha-D-Glucuronic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Alpha-d-glucuronic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alpha-d-glucuronic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
alpha-D-glucuronic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
70021-34-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
70021-34-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:42717
Role
alias
Source
TCMBank
Preferred
No
Name
D-(+)-glucuronic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-(+)-glucuronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
GCU
Role
alias
Source
itcmdb_public
Preferred
No
Name
GCU
Role
alias
Source
HERB_v2
Preferred
No
Name
Glucosiduronate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glucosiduronate
Role
alias
Source
HERB_v2
Preferred
No
Name
M7Y086VB5G
Role
alias
Source
HERB_v2
Preferred
No
Name
M7Y086VB5G
Role
alias
Source
itcmdb_public
Preferred
No
Name
a-d-glucopyranuronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
a-d-glucopyranuronic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-D-glucopyranuronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-D-glucopyranuronic acid
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-D-glucopyranuronic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid70021-34-0CHEBI:42717D-(+)-glucuronic acidGCUGlucosiduronateM7Y086VB5Ga-d-glucopyranuronic acidalpha-D-glucopyranuronic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
128397-88-6
Herb
HBIN015493
Npass
NPC178552
Tcmsp
MOL013319
Sym Map
SMIT13985
Pub Chem
444791
Tcmbank
TCMBANKIN021284
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
Mol Wt
194.139
Cas Id
128397-88-6
Smiles
C1(C(C(OC(C1O)O)C(=O)O)O)O
Mol Log P
-3.129099999999998
Version
v1,v2
In Ch Ikey
AEMOLEFTQBMNLQ-WAXACMCWSA-N
Ob Score
63.1277048763.12770563.128
Suppress
0
Num Hdonors
5
Drug Likeness
0.298
Num Hacceptors
6
Isomeric Smiles
[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
Molecule Weight
194.16
Canonical Smiles
C1(C(C(OC(C1O)O)C(=O)O)O)O
Herb Alias Names
a-d-glucopyranuronic acidalpha-D-glucopyranuronic acid70021-34-0M7Y086VB5G(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acidGlucosiduronateGCUD-(+)-glucuronic acid
Molecular Weight
971.09
Molecular Formula
C48H74O20
Molecular Formula
C6H10O7
Num Rotatable Bonds
1