ROUGHANIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H26O2
Molecular Weight	250.3764
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of ROUGHANIC ACID

Structure Search

SMILES

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

InChI

InChIKey=KBGYPXOSNDMZRV-PDBXOOCHSA-N

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-

HIDE SMILES / InChI

Molecular Formula	C16H26O2
Molecular Weight	250.3764
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:10:43 GMT 2025` Edited by `admin` on `Mon Mar 31 23:10:43 GMT 2025`
Record UNII	3IGF6441ID
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROUGHANIC ACID

Common Name

English

(7Z,10Z,13Z)-7,10,13-HEXADECATRIENOIC ACID

Preferred Name

English

7,10,13-HEXADECATRIENOIC ACID, (7Z,10Z,13Z)-

Systematic Name

English

ALL-CIS-7,10,13-HEXADECATRIENOIC ACID

Systematic Name

English

(Z,Z,Z)-7,10,13-HEXADECATRIENOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

2271-35-4

Created by admin on Mon Mar 31 23:10:43 GMT 2025 , Edited by admin on Mon Mar 31 23:10:43 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

5312428

Created by admin on Mon Mar 31 23:10:43 GMT 2025 , Edited by admin on Mon Mar 31 23:10:43 GMT 2025

PRIMARY

CHEBI

22340

Created by admin on Mon Mar 31 23:10:43 GMT 2025 , Edited by admin on Mon Mar 31 23:10:43 GMT 2025

PRIMARY

CAS

7561-64-0

Created by admin on Mon Mar 31 23:10:43 GMT 2025 , Edited by admin on Mon Mar 31 23:10:43 GMT 2025

PRIMARY

FDA UNII

3IGF6441ID

Created by admin on Mon Mar 31 23:10:43 GMT 2025 , Edited by admin on Mon Mar 31 23:10:43 GMT 2025

PRIMARY