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15 (S) -Hete-biotin

CAT: 0931-T88951-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88951-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217461-45-4
Target
Others
Related Pathways
Others
Bioactivity
15 (S) -Hete-biotin (15 (S) -Hydroxyeicosatetraenoic acid-biotin) is a metabolite of arachidonic acid produced via the 15-lipoxygenase pathway. It is utilized in identifying proteins and/or receptors that bind with 15 (S) -HETE.
Smiles
C(CCCC(NNC(CCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCCC)O)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H]
Molecular Formula
C30H48N4O4S
Molecular Weight
560.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

15(S)-HETE-biotin
CAS Number1217461-45-4
PubChem CID91886096
IUPAC Name(5Z,8Z,11Z,13E,15S)-N'-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-15-hydroxyicosa-5,8,11,13-tetraenehydrazide
Molecular FormulaC30H48N4O4S
Molecular Weight560.8
XLogP4.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count19
Heavy Atom Count39
Formal Charge0
Complexity858
SMILES
CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O
InChI
InChI=1S/C30H48N4O4S/c1-2-3-13-18-24(35)19-14-11-9-7-5-4-6-8-10-12-15-21-27(36)33-34-28(37)22-17-16-20-26-29-25(23-39-26)31-30(38)32-29/h4-5,8-11,14,19,24-26,29,35H,2-3,6-7,12-13,15-18,20-23H2,1H3,(H,33,36)(H,34,37)(H2,31,32,38)/b5-4-,10-8-,11-9-,19-14+/t24-,25-,26-,29-/m0/s1
InChIKey
CVMXPPQBNJUHBS-DJDVYCAUSA-N
Chemical Structure
2D Structure
2D structure of 15(S)-HETE-biotin
CAS: 1217461-45-4
CID: 91886096
Formula: C30H48N4O4S
MW: 560.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.8
XLogP34.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count19
Exact Mass560.33962720
Monoisotopic Mass560.33962720
Topological Polar Surface Area145 Ų
Heavy Atom Count39
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count4
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
sc-22063615 (S) -HETE-biotin
HY-W47250911-HETE
HY-116444A16-HETE
RG-E141406-0120-HETE
sc-204982A(±) 12-HETE
MBS5796808(+/-)11-HETE
sc-205023B(±) 15-HETE
sc-220639(±) 16-HETE
sc-205171(±) 8-HETE
MBS5771507+/-15-HETE

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