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Homo-phytochelatin

CAT: 0804-HY-P10253Size: 1 EachDry Ice: NoHazardous: No
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Description
Homo-phytochelatin is heavy metal chelator presented in legumes[1].
CAS Number
118026-35-0
UNSPSC
12352209
Target
Others
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/homo-phytochelatin.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](CS)C(N[C@H](C(O)=O)CCC(N[C@@H](CS)C(NCCC(O)=O)=O)=O)=O)CC[C@@H](C(O)=O)N
Molecular Formula
C19H31N5O10S2
Molecular Weight
553.61
References & Citations
[1]Oven M, et al., Molecular characterization of the homo-phytochelatin synthase of soybean Glycine max: relation to phytochelatin synthase. J Biol Chem. 2002 Feb 15;277 (7) :4747-54.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Homo-phytochelatin
CAS Number118026-35-0
PubChem CID138319381
IUPAC Name(2S)-2-amino-5-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC19H31N5O10S2
Molecular Weight553.6
XLogP-5.7
Topological Polar Surface Area256
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity828
SMILES
C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)C(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C19H31N5O10S2/c20-9(18(31)32)1-3-13(25)23-12(8-36)17(30)24-10(19(33)34)2-4-14(26)22-11(7-35)16(29)21-6-5-15(27)28/h9-12,35-36H,1-8,20H2,(H,21,29)(H,22,26)(H,23,25)(H,24,30)(H,27,28)(H,31,32)(H,33,34)/t9-,10-,11-,12-/m0/s1
InChIKey
LJNZZPWZIGKSTM-BJDJZHNGSA-N
Chemical Structure
2D Structure
2D structure of Homo-phytochelatin
CAS: 118026-35-0
CID: 138319381
Formula: C19H31N5O10S2
MW: 553.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.6
XLogP3-5.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass553.15123455
Monoisotopic Mass553.15123455
Topological Polar Surface Area256 Ų
Heavy Atom Count36
Formal Charge0
Complexity828
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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