COENZYME B

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H22NO7PS
Molecular Weight	343.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COENZYME B

Structure Search

SMILES

C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O

InChI

InChIKey=JBJSVEVEEGOEBZ-SCZZXKLOSA-N

InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H22NO7PS
Molecular Weight	343.334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:46:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:46:22 GMT 2025`
Record UNII	9GS022ISQL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COENZYME B

Common Name

English

7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE

Preferred Name

English

N-(7-MERCAPTO-1-OXOHEPTYL)-O-PHOSPHONO-L-THREONINE

Systematic Name

English

N-(7-MERCAPTOHEPTANOYL)-L-THREONINE O-PHOSPHATE

Systematic Name

English

L-THREONINE, N-(7-MERCAPTO-1-OXOHEPTYL)-, DIHYDROGEN PHOSPHATE (ESTER)

Systematic Name

English

L-THREONINE, N-(7-MERCAPTO-1-OXOHEPTYL)-O-PHOSPHONO-

Systematic Name

English

Code System Code Type Description

CHEBI

58596

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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CAS

104302-77-4

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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WIKIPEDIA

COENZYME B

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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CAS

107022-00-4

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

9GS022ISQL

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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EPA CompTox

DTXSID70897000

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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PUBCHEM

5462265

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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CHEBI

28890

Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025

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