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Gallichrome

CAT: 0931-T74656-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T74656-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39000-29-8
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Gallichrome, an active peptide, directly interacts with the hydroxamate moieties of siderophores and is utilized in research focused on iron uptake in various gram-positive and gram-negative bacteria [1].
Smiles
CC1=[O][Ga+3]2345[O-]N1CCCC1NC(=O)C(CCCN([O-]2)C(C)=[O]3)NC(=O)C(CCCN([O-]4)C(C)=[O]5)NC(=O)CNC(=O)CNC(=O)CNC1=O
Molecular Formula
C27H42GaN9O12
Molecular Weight
754.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gallichrome

structure in first source

CAS Number39000-29-8
PubChem CID46936673
IUPAC Name(7R,13S,19S)-3,26,29-triacetyl-13-(hydroxymethyl)-2,27,28-trioxa-3,8,11,14,17,20,26,29,33-nonaza-1-gallatricyclo[17.8.5.27,22]tetratriacontane-9,12,15,18,21,34-hexone
Molecular FormulaC28H44GaN9O13
Molecular Weight784.4
Topological Polar Surface Area283
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count1
Heavy Atom Count51
Formal Charge0
Complexity1350
SMILES
CC(=O)N1CCC[C@@H]2C(=O)NC3CCCN(O[Ga](O1)ON(CCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N2)CO)NC3=O)C(=O)C)C(=O)C
InChI
InChI=1S/C28H44N9O13.Ga/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20+,21?,22-;/m0./s1
InChIKey
BEDMDXBTNSVNGS-NIAPTITASA-N
Chemical Structure
2D Structure
2D structure of Gallichrome
CAS: 39000-29-8
CID: 46936673
Formula: C28H44GaN9O13
MW: 784.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight784.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count1
Exact Mass783.23143
Monoisotopic Mass783.23143
Topological Polar Surface Area283 Ų
Heavy Atom Count51
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-148204Gallichrome

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