Glutaryl-CoA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H42N7O19P3S
Molecular Weight	881.633
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O

InChI

InChIKey=SYKWLIJQEHRDNH-CKRMAKSASA-N

InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H42N7O19P3S
Molecular Weight	881.633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:22:30 GMT 2025` Edited by `admin` on `Wed Apr 02 05:22:30 GMT 2025`
Record UNII	UB84B82P7Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Coenzyme A, S-(hydrogen glutarate)

Preferred Name

English

Glutaryl-CoA

Common Name

English

5-(2-(3-(((2R)-4-((((2R,3S,4S,5R)-5-(6-AMINOPURIN-9-YL)-4-OXIDANYL-3-PHOSPHONOOXY-OXOLAN-2-YL)METHOXY-OXIDANYL-PHOSPHORYL)OXY-OXIDANYL-PHOSPHORYL)OXY-3,3-DIMETHYL-2-OXIDANYL-BUTANOYL)AMINO)PROPANOYLAMINO)ETHYLSULFANYL)-5-OXIDANYLIDENE-PENTANOIC ACID

Systematic Name

English

Coenzyme A, S-(hydrogen pentanedioate)

Common Name

English

Glutaryl coenzyme A

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30953358