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Hydroxyproline - Substance Summary (SID 100079)

A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.


Drug and Chemical Information: (Total:1)         

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


Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature


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Data Source:   
Depositor: DTP/NCI
External ID: 46704


BioActivity Results:
Tested in BioAssays: All: 61   Inactive: 61   
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

AID: 145 Source: DTP/NCI
NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line

AID: 143 Source: DTP/NCI
NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line

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Depositor-Supplied Synonyms: (Total: 21)
Display: Next 10 | All | Sort:
hydroxyproline
Hypro
L-Hydroxyproline
L-4-hydroxyproline
hydroxy-L-proline
4-hydroxyproline
trans-4-Hydroxy-L-proline
Ls-Hydroxyproline
4-Hydroxy-L-proline
Hydroxyproline,(l)


Properties Computed from Structure:
Molecular Weight131.12986 [g/mol]
Molecular FormulaC5H9NO3
XLogP3-AA-3.3
H-Bond Donor3
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass131.058243
MonoIsotopic Mass131.058243
Topological Polar Surface Area69.6
Heavy Atom Count9
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
Canonical SMILES: C1C(CNC1C(=O)O)O
Isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)O)O
InChI: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,
4+/m1/s1
InChIKey: PMMYEEVYMWASQN-DMTCNVIQSA-N


Substance Information:
SID 100079   
Deposit Date: 2005-03-26
Modify Date: 2008-02-29

CID 5810   
Create Date: 2004-09-16

Related Substances:
Same: 20 Links
Same, Connectivity: 93 Links

Similar Substances: 315 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 ID5810
Molecular Weight131.12986 [g/mol]
Molecular FormulaC5H9NO3
XLogP3-AA-3.3
H-Bond Donor3
H-Bond Acceptor4


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