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Phoslactomycin E

CAT: 0804-HY-N12676Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N12676Size:1 Each
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Description
Phoslactomycin E has weak effect against Gram-positive bacteria, but has strong effect against fungi[1].
CAS Number
159991-62-5
UNSPSC
12352005
Target
Fungal
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O[C@@](/C=C/[C@H](OC1=O)[C@H](C=C1)CC)(CCN)[C@H](O[P](O)(O)=O)C[C@@H](O)/C=C\C=C/[C@H](CCC2)C[C@H]2OC(C3CCCCC3)=O
Molecular Formula
C32H50NO10P
Molecular Weight
639.71
References & Citations
[1]Naoko Mizuhara, et al. Identification of phoslactomycin E as a metabolite inducing hyphal morphological abnormalities in Aspergillus fumigatus IFO 5840. J Antibiot (Tokyo) . 2007 Dec;60 (12) :762-5.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

[(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
CAS Number159991-62-5
PubChem CID177822955
IUPAC Name[(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
Molecular FormulaC32H50NO10P
Molecular Weight639.7
XLogP0.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity1090
SMILES
CC[C@H]1C=CC(=O)O[C@H]1/C=C/[C@](CCN)([C@@H](C[C@H](/C=C\C=C/[C@@H]2CCC[C@@H](C2)OC(=O)C3CCCCC3)O)OP(=O)(O)O)O
InChI
InChI=1S/C32H50NO10P/c1-2-24-15-16-30(35)42-28(24)17-18-32(37,19-20-33)29(43-44(38,39)40)22-26(34)13-7-6-9-23-10-8-14-27(21-23)41-31(36)25-11-4-3-5-12-25/h6-7,9,13,15-18,23-29,34,37H,2-5,8,10-12,14,19-22,33H2,1H3,(H2,38,39,40)/b9-6-,13-7-,18-17+/t23-,24+,26+,27+,28+,29-,32+/m1/s1
InChIKey
VPPYLHODJVARBC-MNLVLXDDSA-N
Chemical Structure
2D Structure
2D structure of [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
CAS: 159991-62-5
CID: 177822955
Formula: C32H50NO10P
MW: 639.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.7
XLogP30.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass639.31723379
Monoisotopic Mass639.31723379
Topological Polar Surface Area186 Ų
Heavy Atom Count44
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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