heneicosapentaenoic acid (Q27280062)

UNII-HR3EZB17BI (English)

14 October 2016

chemical formula

C₂₁H₃₂O₂

1 reference

UNII-HR3EZB17BI (English)

14 October 2016

canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCC(=O)O

1 reference

UNII-HR3EZB17BI (English)

14 October 2016

isomeric SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O

1 reference

UNII-HR3EZB17BI (English)

InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-15-

14 October 2016

Identifiers

InChI

1 reference

UNII-HR3EZB17BI (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-HR3EZB17BI (English)

14 October 2016

1 reference

UNII

HR3EZB17BI

heneicosapentaenoic acid (English)

14 October 2016

1 reference

(6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-Henicosapentaenoic acid (English)

14 October 2016

2 references

UNII-HR3EZB17BI (English)

14 October 2016

ChEBI ID

165480

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-15-

SureChEMBL ID

SCHEMBL452559

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

HR3EZB17BI

heneicosapentaenoic acid (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

1 reference