CINNAMOYL-COA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H42N7O17P3S
Molecular Weight	897.677
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
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=C(N)N=CN=C23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\C4=CC=CC=C4

InChI

InChIKey=JVNVHNHITFVWIX-KZKUDURGSA-N

InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H42N7O17P3S
Molecular Weight	897.677
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 `Sat Dec 16 16:59:26 UTC 2023` Edited by `admin` on `Sat Dec 16 16:59:26 UTC 2023`
Record UNII	6YVQ9P5RAT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINNAMOYL-COA

Common Name

English

S-(2-(3-(((2R)-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)(E)-3-PHENYLPROP-2-ENETHIOATE

Systematic Name

English

COENZYME A, S-(3-PHENYL-2-PROPENOATE)

Common Name

English

CINNAMOYL-COENZYME A

Common Name

English

COENZYME A, S-(3-PHENYL-2-PROPENOATE), (E)-

Systematic Name

English

COENZYME A, S-((2E)-3-PHENYL-2-PROPENOATE)

Common Name

English

Code System Code Type Description

CAS

30801-99-1