(3S)-3-hydroxy-3-methylglutaryl-CoA(5-) (CHEBI:43074)

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CHEBI:43074 - (3S)-3-hydroxy-3-methylglutaryl-CoA(5−)

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ChEBI Name	(3S)-3-hydroxy-3-methylglutaryl-CoA(5−)

ChEBI ID	CHEBI:43074

ChEBI ASCII Name	(3S)-3-hydroxy-3-methylglutaryl-CoA(5-)

Definition	An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of (3S)-3-hydroxy-3-methylglutaryl-CoA.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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M CHG 5 3 -1 8 -1 10 -1 11 -1 47 -1

M END): 18 ms

reading 97 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

97 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C27H39N7O20P3S

Net Charge

-5

Average Mass

906.62000

Monoisotopic Mass

906.12109

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)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1

InChIKey

CABVTRNMFUVUDM-VRHQGPGLSA-I

SMILES

C[C@](O)(CC([O-])=O)CC(=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

ChEBI Ontology
Outgoing	(3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is a acyl-CoA oxoanion (CHEBI:58946) (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is a carboxylic acid anion (CHEBI:29067) (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is conjugate base of (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467)

Incoming	(3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is conjugate acid of (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074)

Synonyms	Sources
(3S)-3-hydroxy-3-methylglutaryl-CoA	UniProt
3-HYDROXY-3-METHYLGLUTARYL-COENZYME A	PDBeChem

Manual Xrefs	Databases
3-HYDROXY-3-METHYL-GLUTARYL-COA	MetaCyc
HMG	PDBeChem
View more database links

Last Modified

11 October 2024

CHEBI:43074 - (3S)-3-hydroxy-3-methylglutaryl-CoA(5−)

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