PHYTANIC ACID, (3S,7R,11R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H40O2
Molecular Weight	312.5304
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHYTANIC ACID, (3S,7R,11R)-

Structure Search

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(O)=O

InChI

InChIKey=RLCKHJSFHOZMDR-QRVBRYPASA-N

InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H40O2
Molecular Weight	312.5304
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:53:16 GMT 2025` Edited by `admin` on `Tue Apr 01 19:53:16 GMT 2025`
Record UNII	DNI0G88EKC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHYTANIC ACID, (3S,7R,11R)-

Common Name

English

PHYTANIC ACID, (3S,7R,11R)-(-)-

Preferred Name

English

PHYTANIC ACID, L,D,D-

Common Name

English

3S,7R,11R,15-TETRAMETHYLHEXADECANOIC ACID

Systematic Name

English

(3S,7R,11R)-3,7,11,15-TETRAMETHYLHEXADECANOIC ACID

Systematic Name

English

HEXADECANOIC ACID, 3,7,11,15-TETRAMETHYL-, (3S,7R,11R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801227433

Created by admin on Tue Apr 01 19:53:16 GMT 2025 , Edited by admin on Tue Apr 01 19:53:16 GMT 2025

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CAS

31653-05-1

Created by admin on Tue Apr 01 19:53:16 GMT 2025 , Edited by admin on Tue Apr 01 19:53:16 GMT 2025

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PUBCHEM

9972843

Created by admin on Tue Apr 01 19:53:16 GMT 2025 , Edited by admin on Tue Apr 01 19:53:16 GMT 2025

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FDA UNII

DNI0G88EKC

Created by admin on Tue Apr 01 19:53:16 GMT 2025 , Edited by admin on Tue Apr 01 19:53:16 GMT 2025

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