13(S)-Hpode

HCID 5280720
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Basic information

CAS
33964-75-9
Standard SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO
InChIKey
JDSRHVWSAMTSSN-IRQZEAMPSA-N
Molecular formula
C18H32O4
Average molar mass
312.4 g/mol
Monoisotopic mass
312.2300595

Names & identifiers

Preferred name
13(S)-Hpode
IUPAC
(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
English name
13(S)-HPODE
Molecular formula
C18H32O4
Molecular weight
312.44

Names & synonyms

13(S)-HPODE33964-75-9(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid13S-Hydroperoxy-9Z,11E-octadecadienoic acidKJ4LKU42W8(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoateCHEBI:15655DTXSID60131822613-Hydroperoxy-9,11-octadecadienoic acid, (9Z,11E,13S)-RefChem:1057456DTXCID601748013
Show more names
13-HPODC0471713(S)-HPOD13(S)-HpODE(solution in ethanol)Oleic Acid Impurity 67 (13(S)-HPODE)13(S)-HYDROPEROXYOCTA-DECA-9Z,11E-DIENOIC ACID13(S)-HYDROPEROXY-(9S,11E)-OCTADECADIENOIC ACID13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENIC ACID
13-Hpode13(S)-Hydroperoxylinoleic acid13S-HpODEHPODE13(S)-Hydroperoxy-9Z,11E-octadecadienoic acid13-L-Hydroperoxy-9-cis,11-trans-octadecadienoic acid13-L-Hydroperoxy-cis-9,trans-11-octadecadienoic acid13-L-Hydroperoxylinoleic acid

Database identifiers

CAS
33964-75-9
PubChem CID
5280720
DTXSID
DTXSID601318226
ChEMBL
CHEMBL1229641
ChEBI
CHEBI:15655
UNII
KJ4LKU42W8
Nikkaji
J293.198B

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
15
Heavy atoms
22

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Boiling point
449.9 · 449.9±28.0 °C(Predicted)
Density
1.002 · 1.002±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
solubility
50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 1 mg/ml
pka
4.78 · 4.78±0.10(Predicted)
FDA UNII
4 LKU42W8 · KJ4LKU42W8

Safety & regulation

Safety data

risk_code
11-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02
hazard_code
F,Xi
safety_code
16-26-36
Hazard statements
H225

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular；Membrane

Applications

Uses13(S)-HPODE is a hydroperoxide formed from the oxidation of linoleic acid shown to inhibit platelet aggregation.

Suppliers15 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Additional notes

DefinitionChEBI: 13(S)-HPODE is the (S)-enantiomer of 13-HPODE It has a role as a human metabolite. It is functionally related to an octadeca-9,11-dienoic acid. It is a conjugate acid of a 13(S)-HPODE(1-). It is an enantiomer of a (13R)-HPODE.

Related reactions

1 records
New reaction record

Compound notes

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