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Tetranor-PGEM

CAT: 1596-AR-P33073-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33073-02Size:25 Units
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CAS Number
24769-56-0
Molecular Formula
C16H24O7
Molecular Weight
328.36
API Name
Prostaglandin

Chemical Information

11alpha-Hydroxy-9,15-dioxo-2,3,4,5-tetranorprostane-1,20-dioic acid

Prostaglandin E2-UM is a prostanoid that is prostaglandin E2 in which the acyclic hydroxy group has been oxidised to the corresponding ketone, the methyl group has been oxidised to the corresponding carboxylic acid and the 6-carboxyhexenyl group has been oxidatively cleaved to a 2-carboxyethyl group. It is the major urinary metabolite of prostaglandin E2. It has a role as a metabolite. It is a prostanoid, a secondary alcohol, an oxo dicarboxylic acid, a cyclic ketone and a diketone.

CAS Number24769-56-0
PubChem CID161468
IUPAC Name8-[(1R,2R,5R)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid
Molecular FormulaC16H24O7
Molecular Weight328.36
XLogP-0.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity457
SMILES
C1[C@H]([C@@H]([C@H](C1=O)CCC(=O)O)CCC(=O)CCCCC(=O)O)O
InChI
InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-/m1/s1
InChIKey
ZJAZCYLYLVCSNH-JHJVBQTASA-N
Chemical Structure
2D Structure
2D structure of 11alpha-Hydroxy-9,15-dioxo-2,3,4,5-tetranorprostane-1,20-dioic acid
CAS: 24769-56-0
CID: 161468
Formula: C16H24O7
MW: 328.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.36
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass328.15220310
Monoisotopic Mass328.15220310
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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