CROTONYL COENZYME A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40N7O17P3S
Molecular Weight	835.608
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

InChI

InChIKey=KFWWCMJSYSSPSK-PAXLJYGASA-N

InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40N7O17P3S
Molecular Weight	835.608
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:26:51 GMT 2025` Edited by `admin` on `Wed Apr 02 06:26:51 GMT 2025`
Record UNII	Q959BSX9OA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CROTONYL COENZYME A

Common Name

English

COENZYME A, S-2-BUTENOATE

Preferred Name

English

CROTONYL-COA

Common Name

English

S-(2-(3-(((2S)-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)ETHYL) BUT-2-ENETHIOATE

Systematic Name

English

Code System Code Type Description

CHEBI

36926