Serylseryllysine
PubChem CID
18224084
Structure
Molecular Formula
Synonyms
- serylseryllysine
- OZPDGESCTGGNAD-UHFFFAOYSA-N
Molecular Weight
320.34 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-12-04
- Modify:2024-12-07
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-DL-Ser-DL-Ser-DL-Lys-OH
Sequence
SSK
PLN
H-SSK-OH
HELM
PEPTIDE1{(S,[dS]).(S,[dS]).(K,[dK])}$$$$V2.0
IUPAC
DL-seryl-DL-seryl-DL-lysine
6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]hexanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C12H24N4O6/c13-4-2-1-3-8(12(21)22)15-11(20)9(6-18)16-10(19)7(14)5-17/h7-9,17-18H,1-6,13-14H2,(H,15,20)(H,16,19)(H,21,22)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
OZPDGESCTGGNAD-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C(CCN)CC(C(=O)O)NC(=O)C(CO)NC(=O)C(CO)N
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C12H24N4O6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.34 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-6.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
11
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
320.16958450 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
320.16958450 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
188Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
379
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
3
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
NIST Number
1088001
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+2H]2+
Precursor m/z
161.0921
Total Peaks
28
m/z Top Peak
152
m/z 2nd Highest
234.2
m/z 3rd Highest
60
Thumbnail
NIST Number
1088823
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+H]+
Precursor m/z
321.1769
Total Peaks
53
m/z Top Peak
147.1
m/z 2nd Highest
303.2
m/z 3rd Highest
129.1
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawSer-Ser-Lyshttp://www.nist.gov/srd/nist1a.cfm
- PubChem
CONTENTS