(Q74410634)

English

(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate

anion

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No label defined

No description defined

Statements

type of chemical entity

0 references

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polyunsaturated fatty acid anion

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291.19656830391 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₇O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC1OC1=CC=CCCCCCCCC(=O)[O-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC/C=C\C[C@H]1/C(=C/C=C\CCCCCCCC(=O)[O-])/O1

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Identifiers

InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/p-1/b10-3-,11-8-,17-14-/t16-/m0/s1

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YZBZORUZOSCZRN-DCUPSMFCSA-M

2 references

ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

YZBZORUZOSCZRN-DCUPSMFCSA-M

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/p-1/b10-3-,11-8-,17-14-/t16-/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201344132

1 reference

matched by identifier from

YZBZORUZOSCZRN-DCUPSMFCSA-M

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