Somatostatin 28-(1-12)
Basic information
- CAS
81286-16-0- Standard SMILES
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
VQMDZCSYTGHXGO-QXVRTUGUSA-N- Molecular formula
- C49H81N17O19S
- Average molar mass
- 1,244.3 g/mol
- Monoisotopic mass
- 1,243.5615346
Names & identifiers
- Preferred name
- Somatostatin 28-(1-12)
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanedioic acid
- English name
- somatostatin 28-(1-12)
- Molecular formula
- C49H81N17O19S
- Molecular weight
- 1244.34
Names & synonyms
81286-16-0Somatostatin 28-(1-12)Somatostatin 28(1-12)SS28(1-12)DTXSID40231038L-Glutamic acid, N-(N2-(1-(N-(N-(N-(1-(N2-(N-(N2-(N-L-seryl-L-alanyl)-L-asparaginyl)-L-seryl)-L-asparaginyl)-L-prolyl)-L-alanyl)-L-methionyl)-L-alanyl)-L-prolyl)-L-arginyl)-RefChem:184276DTXCID40153529Somatostatin-28 (1-12)1-12-Somatostatin-28orb1679768SCHEMBL31332103
Show more names
L-Glutamic acid, L-seryl-L-alanyl-L-asparaginyl-L-seryl-L-asparaginyl-L-prolyl-L-alanyl-L-methionyl-L-alanyl-L-prolyl-L-arginyl-
TP1258DA-77938Somatostatin-28 (1-12) (H-4945.0001)Ser-Ala-Asn-Ser-Asn-Pro-Ala-Met-Ala-Pro-Arg-Glu-OHL-Seryl-L-alanyl-L-asparaginyl-L-seryl-L-asparaginyl-L-prolyl-L-alanyl-L-methionyl-L-alanyl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-L-glutamic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -11.4
- Topological polar surface area
- 619 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 37
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 2,520
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 3.19 · 3.19±0.10(Predicted)
- Water Solubility
- Soluble in water.
- Sequence
- Ser-Ala-Asn-Ser-Asn-Pro-Ala-Met-Ala-Pro-Arg-Glu
Chemistry & industry
Applications
UsesSomatostatin 28 1-12 (SS28(1-12)) is a somatostatin fragment that is monitored in brain tissue to track processing of somatostatin. SS28(1-12) may be used as an immunogen to generate SS28(1-12) antibodies.
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Compound notes
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