(7E,10E,13E)-roughanic acid (Q27266090)

UNII-72Q57AL3T2 (English)

14 October 2016

chemical formula

C₁₆H₂₆O₂

1 reference

UNII-72Q57AL3T2 (English)

14 October 2016

canonical SMILES

CCC=CCC=CCC=CCCCCCC(=O)O

1 reference

UNII-72Q57AL3T2 (English)

14 October 2016

isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCC(=O)O

1 reference

Occurrence of Hexadecatrienoic Acid in the Glycerides of Rape (Brassica napus L.) Leaf

UNII-72Q57AL3T2 (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+

1 reference

UNII-72Q57AL3T2 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-72Q57AL3T2 (English)

14 October 2016

1 reference

UNII

72Q57AL3T2

(7E,10E,13E)-roughanic acid (English)

14 October 2016

1 reference

(7E,10E,13E)-7,10,13-Hexadecatrienoic acid (English)

14 October 2016

2 references

UNII-72Q57AL3T2 (English)

14 October 2016

ChEBI ID

180365

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+

SureChEMBL ID

SCHEMBL466128

2 references

based on heuristic

inferred from InChIKey

SCHEMBL466129

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

1 reference

2 references

UNII

72Q57AL3T2

(7E,10E,13E)-roughanic acid (English)

14 October 2016