Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21589
- Core Entity Id
- 27182
- Source Entity Count
- 1
- Preferred Name
- Homocystine
- Name En
- Pubchem Id
- 10010
- Smiles Canonical
- C(CSSCCC(C(=O)O)N)C(C(=O)O)N
- Molecular Formula
- C8H16N2O4S2
- Molecular Weight
- 268.3600
- Inchikey
- ZTVZLYBCZNMWCF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
- Isomeric Smiles
- C(CSSCCC(C(=O)O)N)C(C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- -0.0282
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Homocystine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Homocystine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Homocystine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
homocystine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-Dithiobis(2-aminobutyric acid)
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-Dithiobis(2-aminobutyric acid)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-disulfanediylbis(2-aminobutanoic acid)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-disulfanediylbis(2-aminobutanoic acid)
Role
alias
Source
HERB_v2
Preferred
No
Name
462-10-2
Role
alias
Source
HERB_v2
Preferred
No
Name
462-10-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
870-93-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
870-93-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanoic acid, 4,4'-dithiobis[2-amino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 4,4'-dithiobis[2-amino-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:17485
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:17485
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Homocystine
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Homocystine
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00063095
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00063095
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid4,4'-Dithiobis(2-aminobutyric acid)4,4'-disulfanediylbis(2-aminobutanoic acid)462-10-2870-93-9Butanoic acid, 4,4'-dithiobis[2-amino-CHEBI:17485DL-HomocystineMFCD00063095
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029487
Tcmid
9601
Pub Chem
10010
Tcmbank
TCMBANKIN019510
Etcm Ingredient
Homocystine
Itcmdb Generated
ITX-INGREDIENT-125E87F29E56
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
Mol Wt
268.36
Smiles
C(CSSCCC(C(=O)O)N)C(C(=O)O)N
Mol Log P
-0.02819999999999928
In Ch Ikey
ZTVZLYBCZNMWCF-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.339
Num Hacceptors
6
Isomeric Smiles
C(CSSCCC(C(=O)O)N)C(C(=O)O)N
Canonical Smiles
C(CSSCCC(C(=O)O)N)C(C(=O)O)N
Herb Alias Names
DL-Homocystine462-10-2870-93-94,4'-disulfanediylbis(2-aminobutanoic acid)2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acidMFCD000630954,4'-Dithiobis(2-aminobutyric acid)Butanoic acid, 4,4'-dithiobis[2-amino-CHEBI:17485
Molecular Weight
268.060
Molecular Weight
268.4 g/mol
Molecular Formula
C8H16N2O4S2
Molecular Formula
C8H16N2O4S2
Molecular Formula
C8H16N2O4S2
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.339