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Octicidine

CAT: 0013-GTR19224476-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224476-01Size:100 mg
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Description
Octicidine is a phaseolotoxin-derived small molecule lacking the C-terminal dipeptide. It acts as an irreversible, transition-state analog inhibitor of ornithine carbamoyltransferase (OCT), making it a valuable tool for studying amino acid metabolism and bacterial pathogenesis in both in vitro and in vivo research models.
CAS Number
65370-68-5
Smiles
P (NCCC[C@@H] (C (O) =O) N) (OS (N) (=O) =O) (=O) O
Molecular Formula
C5H14N3O7PS
Molecular Weight
291.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Octicidine

derived from phaseolotoxin by removal of C-terminal dipeptide; RN given refers to (L)-isomer; a transition state analog that irreversibly inhibits ornithine carbamoyltransferase

CAS Number65370-68-5
PubChem CID125203
IUPAC Name(2R)-2-amino-5-[[hydroxy(sulfamoyloxy)phosphoryl]amino]pentanoic acid
Molecular FormulaC5H14N3O7PS
Molecular Weight291.22
XLogP-5.3
Topological Polar Surface Area190
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity404
SMILES
C(C[C@H](C(=O)O)N)CNP(=O)(O)OS(=O)(=O)N
InChI
InChI=1S/C5H14N3O7PS/c6-4(5(9)10)2-1-3-8-16(11,12)15-17(7,13)14/h4H,1-3,6H2,(H,9,10)(H2,7,13,14)(H2,8,11,12)/t4-/m1/s1
InChIKey
LNALGAKWYMMOEZ-SCSAIBSYSA-N
Chemical Structure
2D Structure
2D structure of Octicidine
CAS: 65370-68-5
CID: 125203
Formula: C5H14N3O7PS
MW: 291.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.22
XLogP3-5.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass291.02900797
Monoisotopic Mass291.02900797
Topological Polar Surface Area190 Ų
Heavy Atom Count17
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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