IngredientID 16052

Fcy

C3H7NO2S

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Herb: 12Ingredient: 1Meta-analysis: 12Target: 12Links: 36
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
16052
Core Entity Id
21010
Source Entity Count
1
Preferred Name
Fcy
Name En
Pubchem Id
5862
Smiles Canonical
C(C(C(=O)O)N)S
Molecular Formula
C3H7NO2S
Molecular Weight
121.1610
Inchikey
XUJNEKJLAYXESH-REOHCLBHSA-N
Inchi
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Isomeric Smiles
C([C@@H](C(=O)O)N)S
Cas Id
62488-11-3
Ob Score
22.0958
Mol Logp
-0.6719
Num H Donors
3
Num H Acceptors
3
Num Rotatable Bonds
2
Drug Likeness
0.4240
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Cysteine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Fcy
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cysteine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cysteine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cysteine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cysteine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
FCY
Role
preferred
Source
TCMBank
Preferred
Yes
Name
FCY
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fcy
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fcy
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fcy
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-2-amino-3-mercapto-propionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-3-mercaptopropanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-3-sulfanyl-propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(+)-Cysteine
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-Amino-3-mercaptopropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-Amino-3-mercaptopropanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-Amino-3-mercaptopropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Amino-3-mercaptopropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-Cysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-Cysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
168149_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-Amino-3-mercaptopropanoic acid, (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-amino-3-mercapto-, (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
30089_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
52-90-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
52-90-4
Role
alias
Source
HERB_v2
Preferred
No
Name
62488-11-3
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-26559
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS002953
Role
alias
Source
TCMBank
Preferred
No
Name
C00097
Role
alias
Source
TCMBank
Preferred
No
Name
C5360_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
C7352_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 912
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17561
Role
alias
Source
TCMBank
Preferred
No
Name
CYS NH3+ COOH
Role
alias
Source
TCMBank
Preferred
No
Name
Cisteina [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Cisteina [Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Cisteinum [Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
Cystein
Role
alias
Source
HERB_v2
Preferred
No
Name
Cystein
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cystein
Role
alias
Source
TCMBank
Preferred
No
Name
Cysteine, L-
Role
alias
Source
TCMBank
Preferred
No
Name
Cysteinum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
D00026
Role
alias
Source
TCMBank
Preferred
No
Name
E 920
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-158-2
Role
alias
Source
TCMBank
Preferred
No
Name
Ecolan
Role
alias
Source
TCMBank
Preferred
No
Name
Ecolan (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3263
Role
alias
Source
TCMBank
Preferred
No
Name
FREE CYSTEINE
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 2109
Role
alias
Source
TCMBank
Preferred
No
Name
Half-cystine
Role
alias
Source
HERB_v2
Preferred
No
Name
Half-cystine
Role
alias
Source
TCMBank
Preferred
No
Name
Half-cystine
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6
Role
alias
Source
TCMBank
Preferred
No
Name
L Cysteine
Role
alias
Source
TCMBank
Preferred
No
Name
L-(+)-Cysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-2-Amino-3-mercaptopropanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-2-Amino-3-mercaptopropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-Alanine, 3-mercapto-
Role
alias
Source
TCMBank
Preferred
No
Name
L-Cys
Role
alias
Source
TCMBank
Preferred
No
Name
L-Cystein
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Cystein
Role
alias
Source
TCMBank
Preferred
No
Name
L-Cystein
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Cysteine (JAN)
Role
alias
Source
TCMBank
Preferred
No
Name
L-Cysteine, homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
L-Zystein
Role
alias
Source
TCMBank
Preferred
No
Name
L-cysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
NChemBio.2007.13-comp3
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-8746
Role
alias
Source
TCMBank
Preferred
No
Name
Polycysteine
Role
alias
Source
TCMBank
Preferred
No
Name
Propanoic acid, 2-amino-3-mercapto-, (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
Thioserine
Role
alias
Source
HERB_v2
Preferred
No
Name
Thioserine
Role
alias
Source
TCMBank
Preferred
No
Name
Thioserine
Role
alias
Source
itcmdb_public
Preferred
No
Name
W326305_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Amino-beta-mercaptopropanoic acid, L-
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Amino-beta-mercaptopropionic acid, L-
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Amino-beta-thiolpropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Amino-beta-thiolpropionic acid, L-
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Mercaptoalanine
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Mercaptoalanine, L-
Role
alias
Source
TCMBank
Preferred
No
Name
cysteine
Role
alias
Source
HERB_v2
Preferred
No
Name
cysteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
nchembio.2007.33-comp17
Role
alias
Source
TCMBank
Preferred
No
Name
nchembio.2007.39-comp2
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Cysteine(2R)-2-amino-3-mercapto-propionic acid(2R)-2-amino-3-mercaptopropanoic acid(2R)-2-amino-3-sulfanyl-propanoic acid(R)-(+)-Cysteine(R)-2-Amino-3-mercaptopropanoic acid(R)-2-Amino-3-mercaptopropionic acid(R)-Cysteine168149_ALDRICH2-Amino-3-mercaptopropanoic acid, (R)-2-amino-3-mercapto-, (R)-30089_FLUKA52-90-462488-11-3AI3-26559AIDS002953C00097C5360_SIGMAC7352_SIGMACCRIS 912CHEBI:17561CYS NH3+ COOHCisteina [INN-Spanish]Cisteina [Spanish]Cisteinum [Latin]CysteinCysteine, L-Cysteinum [INN-Latin]D00026E 920EINECS 200-158-2EcolanEcolan (TN)FEMA No. 3263FREE CYSTEINEHSDB 2109Half-cystineInChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6L CysteineL-(+)-CysteineL-2-Amino-3-mercaptopropanoic acidL-2-Amino-3-mercaptopropionic acidL-Alanine, 3-mercapto-L-CysL-CysteinL-Cysteine (JAN)L-Cysteine, homopolymerL-ZysteinL-cysteineNChemBio.2007.13-comp3NSC-8746PolycysteinePropanoic acid, 2-amino-3-mercapto-, (R)-ThioserineW326305_ALDRICHalpha-Amino-beta-mercaptopropanoic acid, L-alpha-Amino-beta-mercaptopropionic acid, L-alpha-Amino-beta-thiolpropionic acidalpha-Amino-beta-thiolpropionic acid, L-beta-Mercaptoalaninebeta-Mercaptoalanine, L-nchembio.2007.33-comp17nchembio.2007.39-comp2

Cross References

Trusted external identifiers retained for this final record.

Cas
62488-11-3
Hit
C0232
Herb
HBIN022514HBIN026415
Tcmid
33338
Tcmsp
MOL007177
Sym Map
SMIT08662SMIT23237
Pub Chem
58626419722
Tcmbank
TCMBANKIN014886TCMBANKIN019832
Etcm Ingredient
FCY
Itcmdb Generated
ITX-INGREDIENT-A2C4E63C7301ITX-INGREDIENT-F0A48343E154

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Mol Wt
121.161
Smiles
C(C(C(=O)O)N)SC(C(C(=O)[O-])[NH3+])S
Mol Log P
-0.6719
Version
v1,v2v2
In Ch Ikey
XUJNEKJLAYXESH-REOHCLBHSA-N
Ob Score
22.0958137222.09581422.096
Suppress
0
Num Hdonors
3
Drug Likeness
0.424
Num Hacceptors
3
Isomeric Smiles
C([C@@H](C(=O)O)N)S
Molecule Weight
121.18
Canonical Smiles
C(C(C(=O)O)N)S
Herb Alias Names
L-cysteine52-90-4Cystein(R)-2-Amino-3-mercaptopropanoic acid(R)-CysteineThioserineHalf-cystineL-(+)-CysteineL-Cystein
Molecular Weight
121.020
Molecular Weight
121.16 g/mol
Molecular Formula
C3H7NO2S
Molecular Formula
C3H7NO2S
Molecular Formula
C3H7NO2S
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness(Qed)
0.424