(R)-mevalonate (CHEBI:36464)

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CHEBI:36464 - (R)-mevalonate

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ChEBI Name	(R)-mevalonate

ChEBI ID	CHEBI:36464

ChEBI ASCII Name	(R)-mevalonate

Definition	The (R)-enantiomer of mevalonate.

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

Secondary ChEBI IDs	CHEBI:43870, CHEBI:11005, CHEBI:18690

Supplier Information	ZINC000001529999

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

MEV - Ideal conformer

Mrv1927 03232311023D

starting HoverWatcher_5

Time for openFile(MEV - Ideal conformer

Mrv1927 03232311023D

21 20 0 0 0 0 999 V2000

-2.6730 0.2610 -0.0420 C 0 0 2 0 0 0 0 0 0 0 0 0

-3.9130 -0.4490 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.5140 -0.7360 0.0160 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.1870 0.0240 0.0250 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.0860 0.7910 1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0

0.9730 -0.9720 -0.0430 C 0 0 1 0 0 0 0 0 0 0 0 0

2.2800 -0.2230 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0

2.2850 1.0510 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0

3.3820 -0.8630 -0.0840 O 0 5 0 0 0 1 0 0 0 0 0 0

-0.1260 0.9600 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.6340 0.9140 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.5910 0.8610 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.6150 0.2150 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5530 -1.3890 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5960 -1.3360 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1280 0.1650 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9290 -1.6390 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8960 -1.5570 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8200 1.5020 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.2030 0.3750 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.9520 1.6700 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 3 1 0 0 0 0

1 11 1 0 0 0 0

1 12 1 0 0 0 0

2 13 1 0 0 0 0

3 4 1 0 0 0 0

3 14 1 0 0 0 0

3 15 1 0 0 0 0

4 5 1 1 0 0 0

4 6 1 0 0 0 0

4 10 1 0 0 0 0

5 16 1 0 0 0 0

6 7 1 0 0 0 0

6 17 1 0 0 0 0

6 18 1 0 0 0 0

7 8 2 0 0 0 0

7 9 1 0 0 0 0

10 19 1 0 0 0 0

10 20 1 0 0 0 0

10 21 1 0 0 0 0

M CHG 1 9 -1

M END): 21 ms

reading 21 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

21 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C6H11O4

Net Charge

-1

Average Mass

147.151

Monoisotopic Mass

147.06628

InChI

InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1

InChIKey

KJTLQQUUPVSXIM-ZCFIWIBFSA-M

SMILES

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

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	(R)-mevalonate (CHEBI:36464) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) (R)-mevalonate (CHEBI:36464) has role human metabolite (CHEBI:77746) (R)-mevalonate (CHEBI:36464) is a 3,5-dihydroxy-3-methylpentanoate (CHEBI:194520) (R)-mevalonate (CHEBI:36464) is conjugate base of (R)-mevalonic acid (CHEBI:17710) (R)-mevalonate (CHEBI:36464) is enantiomer of (S)-mevalonate (CHEBI:18790)

Incoming	mevalonate (CHEBI:25350) has part (R)-mevalonate (CHEBI:36464) (R)-mevalonic acid (CHEBI:17710) is conjugate acid of (R)-mevalonate (CHEBI:36464) (S)-mevalonate (CHEBI:18790) is enantiomer of (R)-mevalonate (CHEBI:36464)

IUPAC Name

(3R)-3,5-dihydroxy-3-methylpentanoate

Synonyms	Sources
(3R)-3,5-dihydroxy-3-methylvalerate	ChEBI
(3R)-mevalonate	ChEBI
(R)-3,5-dihydroxy-3-methylpentanoate	PDBeChem
(R)-mevalonate	UniProt
(R)-mevalonic acid anion	ChEBI
(R)-mevalonic acid(1−)	ChEBI
D-mevalonate	ChEBI

Manual Xrefs	Databases
C00418	KEGG COMPOUND
MEV	PDBeChem
MEVALONATE	MetaCyc
View more database links

Last Modified

23 March 2023

CHEBI:36464 - (R)-mevalonate

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