Linoleoyl-coenzyme A

CAT: 0931-T32768Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T32768Size:25 mg

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CAS Number

40757-80-0

Target

Others, Endogenous Metabolite

Related Pathways

Others, Metabolism

Bioactivity

Linoleoyl-coenzyme A is a substrate used to investigate the specificity and kinetics of acyl-CoA.

Smiles

CCCCCC=CCC=CCCCCCCCC(=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)n1cnc2c(N)ncnc12 |w:9.9,6.6|

Molecular Formula

C39H66N7O17P3S

Molecular Weight

1029.97

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Coenzyme A, S-9,12-octadecadienoate

CAS Number	40757-80-0
PubChem CID	170421
IUPAC Name	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] octadeca-9,12-dienethioate
Molecular Formula	C39H66N7O17P3S
Molecular Weight	1030.0
XLogP	1.1
Topological Polar Surface Area	389
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	34
Heavy Atom Count	67
Formal Charge	0
Complexity	1750

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

InChI

InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

InChIKey

YECLLIMZHNYFCK-LFZQUHGESA-N

Chemical Structure

2D Structure

CAS: 40757-80-0

CID: 170421

Formula: C39H66N7O17P3S

MW: 1030.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1030.0
XLogP3	1.1
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	34
Exact Mass	1029.34487583
Monoisotopic Mass	1029.34487583
Topological Polar Surface Area	389 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1750
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T34938-01	Triethanolamine linoleoyl glutamate
T10017-01	1-Linoleoyl Glycerol
T84648-01	2-Linoleoyl Glycerol
T84454-01	Linoleoyl Ethanolamide Phosphate
TCL-01808-01	N-Linoleoyl-DPPE ammonium
TYD-02005-01	1-Linoleoyl- (2S) -glycerol

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Catalog	Name
AR-L07485-01	Linoleoyl Coenzyme A
MBS5782332	Linoleoyl-coenzyme A
296235-01	Linoleoyl Coenzyme A discontinued
TRC-L310000-10MG	Linoleoyl Coenzyme A Lithium Salt
HY-114932-01	Linoleoyl phenylalanine
HY-166119	Linoleoyl-CoA
164765	Linoleoyl Chloride
abx283534-01	Linoleoyl glycine
TRC-L468200-100MG	Linoleoyl Carnitine
MBS5759224	Linoleoyl Ethanolamide

Linoleoyl-coenzyme A

Chemical Information

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