Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Reference: 7Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24497
- Core Entity Id
- 30418
- Source Entity Count
- 1
- Preferred Name
- L-homocysteine
- Name En
- Pubchem Id
- 91552
- Smiles Canonical
- C(CS)C(C(=O)O)N
- Molecular Formula
- C4H9NO2S
- Molecular Weight
- 135.1880
- Inchikey
- FFFHZYDWPBMWHY-VKHMYHEASA-N
- Inchi
- InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
- Isomeric Smiles
- C(CS)[C@@H](C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- -0.2818
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-Homocysteine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-Homocysteine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
L-homocysteine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-homocysteine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
l-homocysteine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-amino-4-sulfanylbutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-amino-4-sulfanylbutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Amino-4-mercaptobutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Amino-4-mercaptobutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(s)-2-amino-4-mercaptobutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(s)-2-amino-4-mercaptobutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-AMINO-4-MERCAPTO-BUTYRIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-AMINO-4-MERCAPTO-BUTYRIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
6027-13-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
6027-13-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:17588
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:17588
Role
alias
Source
HERB_v2
Preferred
No
Name
L-2-Amino-4-mercaptobutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-2-Amino-4-mercaptobutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00151320
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00151320
Role
alias
Source
HERB_v2
Preferred
No
Name
homocysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
homocysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-amino-4-mercaptobutanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+-)-Homocysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-Homocysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-4-mercaptobutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-amino-4-sulfanylbutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
454-29-5
Role
alias
Source
HERB_v2
Preferred
No
Name
D,L-Homocysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Homocysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
Demethylation Lindera base
Role
alias
Source
TCMBank
Preferred
No
Name
Homocysteine, dl-
Role
alias
Source
HERB_v2
Preferred
No
Name
USAF B-12
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-amino-4-sulfanylbutanoic acid(S)-2-Amino-4-mercaptobutyric acid(s)-2-amino-4-mercaptobutanoic acid2-AMINO-4-MERCAPTO-BUTYRIC ACID6027-13-0CHEBI:17588L-2-Amino-4-mercaptobutyric acidMFCD00151320homocysteine2-amino-4-mercaptobutanoic acid(+-)-Homocysteine(+/-)-Homocysteine2-Amino-4-mercaptobutyric acid2-amino-4-sulfanylbutanoic acid454-29-5D,L-HomocysteineDL-HomocysteineDemethylation Lindera baseHomocysteine, dl-USAF B-12
Cross References
Trusted external identifiers retained for this final record.
Cas
6027-13-0
Herb
HBIN033053HBIN005312HBIN023234
Tcmid
960037094
Sym Map
SMIT15773
Tcm Id
8702
Pub Chem
91552778
Tcmbank
TCMBANKIN009393TCMBANKIN057989
Etcm Ingredient
L-Homocysteine
Itcmdb Generated
ITX-INGREDIENT-565A401A7756
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
Mol Wt
135.188
Smiles
C(CS)C(C(=O)O)N
Mol Log P
-0.2817999999999999
Version
v1,v2
In Ch Ikey
FFFHZYDWPBMWHY-VKHMYHEASA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.466
Num Hacceptors
3
Isomeric Smiles
C(CS)[C@@H](C(=O)O)N
Canonical Smiles
C(CS)C(C(=O)O)N
Herb Alias Names
homocysteine6027-13-0(2S)-2-amino-4-sulfanylbutanoic acid(s)-2-amino-4-mercaptobutanoic acid2-AMINO-4-MERCAPTO-BUTYRIC ACIDCHEBI:17588L-2-Amino-4-mercaptobutyric acid(S)-2-Amino-4-mercaptobutyric acidMFCD00151320
Molecular Weight
135.040
Molecular Weight
135.19 g/mol
Molecule Formula
C4H9NO2S
Molecular Formula
C4H9NO2S
Molecular Formula
C4H9NO2S
Molecular Formula
C4H9NO2S
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.466