MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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lovastatin

	Properties	Image
MNX_ID	MNXM60387
reference	chebi:40303
formula	C₂₄H₃₆O₅
global charge	0
mol weight	404.547
InChIKey	PCZOHLXUXFIOCF-BXMDZJJMSA-N
InChI	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21

MNX internals

InChI (mnx)	InChI=1/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES (mnx)	[CH3:1][CH2:5][C@H:15]([CH3:3])[C:24](=[O:27])[O:29][C@H:21]1[CH2:11][C@@H:14]([CH3:2])[CH:10]=[C:17]2[CH:7]=[CH:6][C@H:16]([CH3:4])[C@H:20]([CH2:9][CH2:8][C@@H:19]3[CH2:12][C@@H:18]([OH:25])[CH2:13][C:22](=[O:26])[O:28]3)[C@H:23]21

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:40303 chebi:40303 PCZOHLXUXFIOCF-BXMDZJJMSA-N	lovastatin (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6alpha-methylcompactin LOVASTATIN Lovastatin MK-803 ML-530B Mevacor Mevinolin
vmhM:lxser vmhmetabolite:lxser PCZOHLXUXFIOCF-BXMDZJJMSA-N	Gal-Xyl-L-Ser (protein) (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate
kegg.compound:C07074 keggC:C07074 PCZOHLXUXFIOCF-BXMDZJJMSA-N	Lovastatin
kegg.drug:D00359 keggD:D00359 PCZOHLXUXFIOCF-BXMDZJJMSA-N	Lovastatin (USP/INN) MK-803 ML-530B Mevacor (TN)
bigg.metabolite:lvst biggM:lvst PCZOHLXUXFIOCF-UHFFFAOYSA-N	Lovastatin lactone form
hmdb:HMDB0014372 PCZOHLXUXFIOCF-BXMDZJJMSA-N	Lovastatin (1S,3R,7S,8S,8AR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate (1S,3R,7S,8S,8AR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate 1 alpha-Isomer lovastatin 2b,6a-Dimethyl-8a-(2-methyl-1-oxobutoxy)-mevinate lactone 2b,6a-Dimethyl-8a-(2-methyl-1-oxobutoxy)-mevinic acid lactone 2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinate lactone 2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinate lactone 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6 Methylcompactin 6 alpha-Methylcompactin 6-Methylcompactin 6a-Methylcompactin 6alpha-Methylcompactin 6alpha-methylcompactin Lovastatin, (1 alpha(s*))-isomer Lovastatin, 1 alpha isomer Lovastatin, 1 alpha-isomer MK-803 ML-530b Mevacor Mevinolin Monacolin K alpha-Isomer lovastatin, 1 lovastatin
seed.compound:cpd04354 seedM:cpd04354 PCZOHLXUXFIOCF-BXMDZJJMSA-N	Lovastatin Mevacor lovastatin lovastatin lactone
hmdb:HMDB0248085 PCZOHLXUXFIOCF-UHFFFAOYSA-N	[(1S,3S,7R,8R,8As)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-methylbutanoate 1 alpha-Isomer lovastatin 6 Methylcompactin 6-Methylcompactin 8-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoic acid 8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate Lovastatin Lovastatin, (1 alpha(s*))-isomer Lovastatin, 1 alpha isomer Lovastatin, 1 alpha-isomer Mevacor Mevinolin [(1S,3S,7R,8R,8As)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-methylbutanoic acid alpha-Isomer lovastatin, 1
vmhM:lvst vmhmetabolite:lvst PCZOHLXUXFIOCF-BXMDZJJMSA-N	lovastatin lactone form (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate
metacyc.compound:CPD-5561 metacycM:CPD-5561 PCZOHLXUXFIOCF-KVVRZSONSA-N	lovastatin lactone Mevacor
hmdb:HMDB14372 chebi:40299 chebi:6544 biggM:M_lvst keggC:M_C07074 keggD:M_D00359 seedM:M_cpd04354 vmhM:M_lvst vmhM:M_lxser	secondary/obsolete/fantasy identifier