[Go]
PubMed | Entrez | Structure | PubChem | Help
PubChem  » Substance Summary
 


Proline - Substance Summary (SID 100078)

A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.


Drug and Chemical Information: (Total:1)         

  Chemical Classification
Amino Acids, Peptides, and Proteins
      Amino Acids
            Amino Acids, Cyclic
                  Imino Acids
                        Proline


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

EINECS - European Inventory of Existing Commercial Chemical Substances

GENETOX - Genetic toxicology information

TOXLINE - Citations to the toxicological literature

ClinicalTrials.gov - Registry of federal and private clinical trials


Literature Choose by Subheadings:

Literature Keyword Mining Tool



Data Source:   
Depositor: DTP/NCI
External ID: 46703


BioActivity Results:
Tested in BioAssays: All: 2   Inactive: 2   
BioActivity Summary: This Substance   with Similar Substances

AID: 330 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model P388 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice

AID: 248 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice


Depositor-Supplied Synonyms: (Total: 14)
Display: Next 4 | All | Sort:
proline
L-proline
CCCu
(S)-Proline
Proline, L-
(-)-Proline
L-(-)-Proline
(-)-(S)-Proline
2-pyrrolidinecarboxylic acid
PROLINE,(L)


Properties Computed from Structure:
Molecular Weight115.13046 [g/mol]
Molecular FormulaC5H9NO2
XLogP3-2.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass115.063329
MonoIsotopic Mass115.063329
Topological Polar Surface Area49.3
Heavy Atom Count8
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: pyrrolidine-2-carboxylic acid
Canonical SMILES: C1CC(NC1)C(=O)O
InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey: ONIBWKKTOPOVIA-UHFFFAOYSA-N


Substance Information:
SID 100078   
Deposit Date: 2005-03-26
Modify Date: 2008-02-29

CID 614   
Create Date: 2004-09-16

Related Substances:
Same: 73 Links
Same, Connectivity: 159 Links
Same, Stereochemistry: 82 Links
Same, Isotopes: 133 Links

Similar Substances: 352 Links


Depositor-Supplied Comments:
DTP/NCI from molfile. Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008
     
Compound Displayed

2D

3D
Compound ID614
Molecular Weight115.13046 [g/mol]
Molecular FormulaC5H9NO2
XLogP3-2.5
H-Bond Donor2
H-Bond Acceptor3


 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility