13(S)-HOT

Chemical Formula:

C₁₈H₂₉O₃

Molecular Weight:

293.425 Daltons

Monoisotopic Mass:

294.2194948293 Daltons

SMILES:

CCC=CCC(C=CC=CCCCCCCCC([O-])=O)O

InChI:

1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/p-1/b9-7-,11-3-,15-12+/t17-/m0/s1

InChIKey:

KLLGGGQNRTVBSU-FQSPHKRJSA-M

Synonyms

(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoate
13S-HOTrE

Databases

MetaCyc: CPD-14994

RefMet: 13S-HOTrE

ChEBI: 90773

PubChem (CID): 90657736 16061072

Seed: cpd15032

MetaNetX: MNXM723256

KEGG: C16316