Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1592
- Core Entity Id
- 4959
- Source Entity Count
- 1
- Preferred Name
- 2-amino-3-hydroxybutanedioic acid
- Name En
- Pubchem Id
- 5425
- Smiles Canonical
- C(C(C(=O)O)O)(C(=O)O)N
- Molecular Formula
- C4H7NO5
- Molecular Weight
- 149.1020
- Inchikey
- YYLQUHNPNCGKJQ-NCGGTJAESA-N
- Inchi
- InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
- Isomeric Smiles
- C(C(C(=O)O)O)(C(=O)O)N
- Cas Id
- 7298-98-8
- Ob Score
- 65.1520
- Mol Logp
- -2.1562
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3S)-2-Amino-3-Hydroxy-Succinic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S)-2-Amino-3-Hydroxy-Succinic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S)-2-amino-3-hydroxy-succinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S)-2-amino-3-hydroxy-succinic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3s)-2-amino-3-hydroxy-succinic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3s)-2-amino-3-hydroxy-succinic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-amino-3-hydroxybutanedioic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-amino-3-hydroxybutanedioic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-amino-3-hydroxybutanedioic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S)-2-amino-3-hydroxy-butanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S)-2-amino-3-hydroxybutanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S)-2-amino-3-hydroxybutanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S)-2-amino-3-hydroxysuccinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S)-2-amino-3-hydroxysuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-3-hydroxy-D-aspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-3-hydroxy-D-aspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-3-hydroxysuccinic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-3-hydroxysuccinic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxyaspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxyaspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-aminomalic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-aminomalic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4294-45-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
4294-45-5
Role
alias
Source
HERB_v2
Preferred
No
Name
5753-30-0
Role
alias
Source
HERB_v2
Preferred
No
Name
5753-30-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
71653-06-0
Role
alias
Source
HERB_v2
Preferred
No
Name
71653-06-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aspartic acid, 3-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Aspartic acid, 3-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:60893
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:60893
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL568192
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL568192
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-erythro-3-hydroxyaspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-erythro-3-hydroxyaspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lopac-H-2775
Role
alias
Source
TCMBank
Preferred
No
Name
Malic acid, 3-amino-
Role
alias
Source
HERB_v2
Preferred
No
Name
Malic acid, 3-amino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00015504-01
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Hydroxyaspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Hydroxyaspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
d,l-threo-3-HYDROXYASPARTIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
d,l-threo-3-HYDROXYASPARTIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
erythro-3-hydroxy-D-aspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
erythro-3-hydroxy-D-aspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
erythro-beta-hydroxy-D-aspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
erythro-beta-hydroxy-D-aspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
rel-(3S)-3-Hydroxy-D-aspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
rel-(3S)-3-Hydroxy-D-aspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3S)-2-Amino-3-Hydroxy-Succinic Acid(2R,3S)-2-amino-3-hydroxy-butanedioic acid(2R,3S)-2-amino-3-hydroxybutanedioic acid(2R,3S)-2-amino-3-hydroxysuccinic acid(3S)-3-hydroxy-D-aspartic acid2-Amino-3-hydroxysuccinic Acid3-Hydroxyaspartic acid3-aminomalic acid4294-45-55753-30-071653-06-0Aspartic acid, 3-hydroxy-CHEBI:60893CHEMBL568192D-erythro-3-hydroxyaspartic acidLopac-H-2775Malic acid, 3-amino-NCGC00015504-01beta-Hydroxyaspartic acidd,l-threo-3-HYDROXYASPARTIC ACIDerythro-3-hydroxy-D-aspartic aciderythro-beta-hydroxy-D-aspartic acidrel-(3S)-3-Hydroxy-D-aspartic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
7298-98-8
Herb
HBIN005305HBIN006468
Npass
NPC327895
Tcmsp
MOL009033
Sym Map
SMIT10221
Tcm Id
8708
Pub Chem
54256603868
Tcmbank
TCMBANKIN005548TCMBANKIN020777
Etcm Ingredient
(2R,3S)-2-amino-3-hydroxy-succinic acid
Itcmdb Generated
ITX-INGREDIENT-BC689DD37117
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1
Mol Wt
149.102
Cas Id
7298-98-8
Smiles
C(C(C(=O)O)O)(C(=O)O)N
Mol Log P
-2.1562
Version
v1,v2
In Ch Ikey
YYLQUHNPNCGKJQ-NCGGTJAESA-NYYLQUHNPNCGKJQ-UHFFFAOYSA-N
Ob Score
65.15265.15233765.15233724
Suppress
0
Num Hdonors
4
Drug Likeness
0.363
Num Hacceptors
4
Isomeric Smiles
C(C(C(=O)O)O)(C(=O)O)N[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N
Molecule Weight
149.12
Canonical Smiles
C(C(C(=O)O)O)(C(=O)O)N
Herb Alias Names
3-Hydroxyaspartic acid71653-06-02-Amino-3-hydroxysuccinic Acidd,l-threo-3-HYDROXYASPARTIC ACIDAspartic acid, 3-hydroxy-Malic acid, 3-amino-3-aminomalic acidbeta-Hydroxyaspartic acid4294-45-5
Molecular Weight
149.030
Molecular Weight
149.1
Molecular Formula
C4H7NO5
Molecular Formula
C4H7NO5
Molecular Formula
C4H7NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.255