Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 9Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27070
- Core Entity Id
- 33276
- Source Entity Count
- 1
- Preferred Name
- N-acetyl-d-glucosamine
- Name En
- Pubchem Id
- 439174
- Smiles Canonical
- CC(=O)NC1C(C(C(OC1O)CO)O)O
- Molecular Formula
- C8H15NO6
- Molecular Weight
- 221.2090
- Inchikey
- OVRNDRQMDRJTHS-RTRLPJTCSA-N
- Inchi
- InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
- Isomeric Smiles
- CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.0776
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Acetyl-D-Glucosamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-Acetyl-D-glucosamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-acetyl-d-glucosamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-acetyl-d-glucosamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
n-acetyl-d-glucosamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Acetamido-2-Deoxy-D-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetamido-2-Deoxy-D-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Acetamido-2-Deoxy-D-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetamido-2-Deoxy-D-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Acetamido-2-Deoxy-D-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Acetamido-2-Deoxy-D-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetamido-2-Deoxy-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Acetamido-2-Deoxy-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetamido-2-Deoxy-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetamido-2-Deoxy-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Acetamido-2-Deoxy-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetamido-2-Deoxy-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Acetamido-D-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Acetamido-D-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Acetamido-D-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Acetamido-D-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Acetamido-D-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Acetamido-D-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Acetamido-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Acetamido-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Acetamido-2-Deoxy-D-Glucopyranose2-Acetamido-2-Deoxy-D-Glucopyranoside2-Acetamido-2-Deoxy-D-Glucose2-Acetamido-2-Deoxy-Glucopyranose2-Acetamido-2-Deoxy-Glucopyranoside2-Acetamido-2-Deoxy-Glucose2-Deoxy-2-Acetamido-D-Glucopyranose2-Deoxy-2-Acetamido-D-Glucopyranoside2-Deoxy-2-Acetamido-D-Glucose2-Deoxy-2-Acetamido-Glucopyranose
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036264
Npass
NPC327486
Tcmid
402
Sym Map
SMIT25592
Pub Chem
439174
Tcmbank
TCMBANKIN000108
Etcm Ingredient
N-Acetyl-D-glucosamine
Itcmdb Generated
ITX-INGREDIENT-BE1E7E934E65ITX-INGREDIENT-DA0A312B4E16
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1
Mol Wt
221.209
Smiles
CC(=O)NC1C(C(C(OC1O)CO)O)O
Mol Log P
-3.077599999999998
Version
v2
In Ch Ikey
OVRNDRQMDRJTHS-RTRLPJTCSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.337
Num Hacceptors
6
Isomeric Smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
Canonical Smiles
CC(=O)NC1C(C(C(OC1O)CO)O)O
Herb Alias Names
2-Acetamido-2-Deoxy-D-Glucopyranose2-Acetamido-2-Deoxy-D-Glucopyranoside2-Acetamido-2-Deoxy-D-Glucose2-Acetamido-2-Deoxy-Glucopyranose2-Acetamido-2-Deoxy-Glucopyranoside2-Acetamido-2-Deoxy-Glucose2-Deoxy-2-Acetamido-D-Glucopyranose2-Deoxy-2-Acetamido-D-Glucopyranoside2-Deoxy-2-Acetamido-D-Glucose2-Deoxy-2-Acetamido-Glucopyranose
Molecular Weight
221.090
Molecular Weight
221.21 g/mol
Molecular Formula
C8H15NO6
Molecular Formula
C8H15NO6
Molecular Formula
C8H15NO6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.337