(9Z)-12,13-Dihydroxyoctadec-9-enoate

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Systematic / IUPAC Name: (Z,12S,13S)-12,13-Dihydroxyoctadec-9-enoic acid

ID: Reference13947

Other Names: (9Z,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid;
12,13-DiHOME;
AA-2605

Formula: C18H34O4

Class: Endogenous Metabolites

Spectral Data

(9Z)-12,13-Dihydroxyoctadec-9-enoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1419
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/8/2026 9:14:17 AM
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Identificators

InChI InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/t16-,17-/m0/s1
InChI Key CQSLTKIXAJTQGA-BTDPBSJTSA-N
Canonical SMILES CCCCC[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)O
CAS
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Other Names (9Z,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid;
12,13-DiHOME;
AA-2605

In Other Databases

ChemSpider 26324122
LipidsMAPs LMFA02000302
PubChem 25320870