ACRYLOYL-COA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38N7O17P3S
Molecular Weight	821.582
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)C=C

InChI

InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-N

InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H38N7O17P3S
Molecular Weight	821.582
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 13:44:39 GMT 2025` Edited by `admin` on `Wed Apr 02 13:44:39 GMT 2025`
Record UNII	PV7BP6Q8B6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACRYLOYL-COA

Common Name

English

ACRYLOYL-COENZYME A

Preferred Name

English

ACRYLYL-COA

Common Name

English

ACRYLYL COENZYME A

Common Name

English

COENZYME A, S-2-PROPENOATE

Common Name

English

THIOACRYLIC ACID S-ESTER WITH COENZYME A

Common Name

English

S-(2-(3-((4-((((2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL)METHOXY-HYDROXYPHOSPHORYL)OXY-HYDROXYPHOSPHORYL)OXY-2-HYDROXY-3,3-DIMETHYLBUTANOYL)AMINO)PROPANOYLAMINO)ETHYL) PROP-2-ENETHIOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9543026