Products for Research Use Only
RegisterLogin

Ferrocin B

CAT: 0013-GTR19255623-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19255623-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ferrocin B is an iron-containing cyclic decapeptide antibiotic isolated from the Pseudomonas fluorescens YK-310 strain. It exhibits strong antibacterial properties, primarily targeting Gram-negative bacteria, with a notable inhibitory effect against Pseudomonas aeruginosa. In murine infection models, the half-maximal effective dose (ED50) of Ferrocin B for P. aeruginosa is 0.593 mg/kg. Ferrocin B is applicable in anti-infective research studies.
CAS Number
114562-40-2
Field of Research
Infectious Disease & Virology
Smiles
O=C1OCC (NC (=O) CC=CCCCCCC) C (=O) NC2C (=O) NCC (=O) NC (C (=O) NC (C (=O) NC3C (=O) NC (C (=O) NCC (=O) NC (C (=O) NC1) CCCN4[O-][Fe+3]56 (O=C4C) (O=C (N ([O-]5) CCC2) C) O=C (N ([O-]6) CCC3) C) CO) CO) C (C) C
Molecular Formula
C51H82FeN13O20
Molecular Weight
1253.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ferrocin B

Ferrocin B is a cyclodepsipeptide.

CAS Number114562-40-2
PubChem CID139587141
IUPAC Nameiron(3+);(Z)-N-[(12S,18S,21R,30S)-6,15,27-tris[3-[acetyl(oxido)amino]propyl]-12,18-bis(hydroxymethyl)-2,5,8,11,17,20,23,26,29-nonaoxo-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]dec-3-enamide
Molecular FormulaC51H84FeN13O19
Molecular Weight1239.1
Topological Polar Surface Area471
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count23
Heavy Atom Count84
Formal Charge0
Complexity2200
SMILES
CCCCCC/C=C\CC(=O)N[C@H]1COC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C(NC1=O)CCCN(C(=O)C)[O-])C(C)C)CO)CCCN(C(=O)C)[O-])CO)CCCN(C(=O)C)[O-].[Fe+3]
InChI
InChI=1S/C51H84N13O19.Fe/c1-7-8-9-10-11-12-13-20-41(70)58-40-30-83-44(73)27-55-46(74)36(18-15-22-63(81)33(5)68)57-42(71)25-54-48(76)38(28-65)52-24-35(17-14-21-62(80)32(4)67)56-49(77)39(29-66)60-51(79)45(31(2)3)61-43(72)26-53-47(75)37(59-50(40)78)19-16-23-64(82)34(6)69;/h12-13,31,35-40,45,52,65-66H,7-11,14-30H2,1-6H3,(H,53,75)(H,54,76)(H,55,74)(H,56,77)(H,57,71)(H,58,70)(H,59,78)(H,60,79)(H,61,72);/q-3;+3/b13-12-;/t35?,36?,37?,38-,39-,40-,45+;/m0./s1
InChIKey
NAGWAVXPMGJERZ-TUFURUPOSA-N
Chemical Structure
2D Structure
2D structure of Ferrocin B
CAS: 114562-40-2
CID: 139587141
Formula: C51H84FeN13O19
MW: 1239.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1239.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count23
Exact Mass1238.535578
Monoisotopic Mass1238.535578
Topological Polar Surface Area471 Ų
Heavy Atom Count84
Formal Charge0
Complexity2200
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19255925-01Ferrocin A
GTR19319500Influenza B (B/Malaysia)
GTR19009424Asialog. GM2, B.b.
GTR19009421Asialog. GM1, B.b.
GTR19009419Monosialog. GM1, B.b.
GTR19009408Disialog. GD1b, B.b.
GTR19009429Trisialog. GT1b, B.b.
GTR19009427Trisialog. GT1a, B.b.
GTR19009413Monosialog. GM4, B.b.
GTR19009404Disialog. GD3, B.b.

Alternative Products

CatalogName
HY-N14351Ferrocin A
HY-N14354Ferrocin B

Popular Products