(3S)-3-hydroxy-3-methylglutaryl-CoA (Q307532)

chemical compound

3-Hydroxy-3-methylglutaryl-CoA
3-hydroxy-3-methylglutaryl-coenzyme A
HMG-CoA
hydroxymethylglutaryl-CoA
HMG-coenzyme A
(S)-3-hydroxy-3-methylglutaryl-coenzyme A

Language	Label	Description	Also known as
English	(3S)-3-hydroxy-3-methylglutaryl-CoA	chemical compound	3-Hydroxy-3-methylglutaryl-CoA 3-hydroxy-3-methylglutaryl-coenzyme A HMG-CoA hydroxymethylglutaryl-CoA HMG-coenzyme A (S)-3-hydroxy-3-methylglutaryl-coenzyme A

Statements

instance of

type of chemical entity

0 references

subclass of

3-hydroxy-3-methylglutaryl-CoA

1 reference

based on heuristic

inferred from SMILES

mass

911.157468 dalton

1 reference

language of work or name

HMG-CoA (English)

3 October 2016

C₂₇H₄₄N₇O₂₀P₃S

1 reference

language of work or name

HMG-CoA (English)

3 October 2016

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)O

1 reference

language of work or name

HMG-CoA (English)

3 October 2016

C[C@](CC(=O)O)(CC(=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=C2N=CN=C3N)O)OP(=O)(O)O)O)O

1 reference

language of work or name

HMG-CoA (English)

3 October 2016

2 references

Recon 2.2: from reconstruction to model of human metabolism

stated in

A community-driven global reconstruction of human metabolism.

physically interacts with

3-hydroxy-3-methylglutaryl-CoA synthase 1

subject has role

enzyme inhibitor

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3040

language of work or name

17 August 2016

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21+,25-,27+/m1/s1

1 reference

language of work or name

HMG-CoA (English)

3 October 2016

CABVTRNMFUVUDM-VRHQGPGLSA-N

2 references

language of work or name

HMG-CoA (English)

3 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1553-55-5

1 reference

imported from Wikimedia project

1 reference

language of work or name

English

title

(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosph (English)

3 October 2016

1 reference

language of work or name

English

title