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Plumbemycin A

CAT: 0931-T68968-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68968-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62896-18-8
Target
Others
Related Pathways
Others
Bioactivity
Plumbemycin A is isolated from Streptomyces plumbeus; an L-threonine antagonist.
Smiles
[C@H](C(N[C@@H](/C=C\CP(=O)(O)O)C(O)=O)=O)(NC([C@H](C)N)=O)CC(O)=O
Molecular Formula
C12H20N3O9P
Molecular Weight
381.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Plumbemycin A

isolated from Streptomyces plumbeus; an L-threonine antagonist; structure given in first source

CAS Number62896-18-8
PubChem CID6441089
IUPAC Name(E)-2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-5-phosphonopent-3-enoic acid
Molecular FormulaC12H20N3O9P
Molecular Weight381.28
XLogP-6.1
Topological Polar Surface Area216
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity601
SMILES
CC(C(=O)NC(CC(=O)O)C(=O)NC(/C=C/CP(=O)(O)O)C(=O)O)N
InChI
InChI=1S/C12H20N3O9P/c1-6(13)10(18)15-8(5-9(16)17)11(19)14-7(12(20)21)3-2-4-25(22,23)24/h2-3,6-8H,4-5,13H2,1H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)(H2,22,23,24)/b3-2+
InChIKey
BMFVTRZNBFRUMH-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Plumbemycin A
CAS: 62896-18-8
CID: 6441089
Formula: C12H20N3O9P
MW: 381.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.28
XLogP3-6.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass381.09371622
Monoisotopic Mass381.09371622
Topological Polar Surface Area216 Ų
Heavy Atom Count25
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5811522Plumbemycin A
MBS5811523Plumbemycin B

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