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15 (S) -HPETE

CAT: 0024-sc-200966Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-200966Size:50 µg
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CAS Number
70981-96-3

Chemical Information

15(S)-Hpete

15(S)-HPETE is the (S)-enantiomer of 15-HPETE. It has a role as a mouse metabolite. It is functionally related to an icosa-5,8,11,13-tetraenoic acid. It is a conjugate acid of a 15(S)-HPETE(1-). It is an enantiomer of a 15(R)-HPETE.

CAS Number70981-96-3
PubChem CID5280893
IUPAC Name(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
Molecular FormulaC20H32O4
Molecular Weight336.5
XLogP5.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
InChI
InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
InChIKey
BFWYTORDSFIVKP-VAEKSGALSA-N
Chemical Structure
2D Structure
2D structure of 15(S)-Hpete
CAS: 70981-96-3
CID: 5280893
Formula: C20H32O4
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass336.23005950
Monoisotopic Mass336.23005950
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W747564(+/-) 12-HpETE
HY-N165148 (S) -HPETE
GTR19191725-0115 (S) -HpETE
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GTR19279559-0111 (R) -HPETE
GTR19279531-018 (R) -HPETE
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