(Q61716224)

English

9S-hydroxy-10E,12E-octadecadienoic acid

chemical compound

β-Dimorphecolic acid

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

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296.23514488399996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(9R)-9-Hydroxyoctadeca-10,12-dienoic acid

1 reference

based on heuristic

inferred from InChIKey

(9S)-9-hydroxyoctadeca-10,12-dienoic acid

1 reference

based on heuristic

inferred from InChI

(9S)-α-dimorphecolic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₃₂O₃

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canonical SMILES

CCCCCC=CC=CC(O)CCCCCCCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(CCCCCCC[C@H](O)/C=C/C=C/CCCCC)(=O)O

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Identifiers

InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m1/s1

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NPDSHTNEKLQQIJ-RUDINFOGSA-N

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1 reference

matched by identifier from

NPDSHTNEKLQQIJ-RUDINFOGSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m1/s1

UniChem compound ID

1 reference

1 reference

matched by identifier from

NPDSHTNEKLQQIJ-RUDINFOGSA-N

0 references

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