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

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valproic acid

	Properties	Image
MNX_ID	MNXM3115
reference	chebi:39867
formula	C₈H₁₆O₂
global charge	0
mol weight	144.214
InChIKey	NIJJYAXOARWZEE-UHFFFAOYSA-N
InChI	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
SMILES	CCCC(CCC)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH:7]([CH2:6][CH2:4][CH3:2])[C:8](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39867 chebi:39867 NIJJYAXOARWZEE-UHFFFAOYSA-N	valproic acid 2-PROPYL-PENTANOIC ACID 2-n-propyl-n-valeric acid 2-propylpentanoic acid 2-propylvaleric acid 4-heptanecarboxylic acid DPA Depakene Di-n-propylessigsaeure VALPROIC ACID VPA Valproinsaeure acide valproique acido valproico acidum valproicum di-n-propylacetic acid dipropylacetic acid n-DPA
kegg.drug:D00399 keggD:D00399 NIJJYAXOARWZEE-UHFFFAOYSA-N	Valproic acid (USP) Depakene (TN)
hmdb:HMDB0001877 NIJJYAXOARWZEE-UHFFFAOYSA-N	Valproic acid (N-C3H7)2chcooh (S)-2-Propyl-4-pentanoate (S)-2-Propyl-4-pentanoic acid 2 Propylpentanoic acid 2-N-Propyl-N-valerate 2-N-Propyl-N-valeric acid 2-PROPYL-pentanoIC ACID 2-PROPYL-pentanoate 2-Propylpentanoate 2-Propylpentanoic acid 2-Propylvalerate 2-Propylvaleric acid 2-propylpentanoic acid 4-Heptanecarboxylate 4-Heptanecarboxylic acid Acetate, dipropyl Acid, propylisopropylacetic Acid, valproic Acide valproique Acido valproico Acidum valproicum Alti-valproic Apo-divalproex Apo-valproic Apo-valproic syrup Avugane Baceca Calcium valproate Calcium, valproate Convulex Convulsofin DOM-divalproex DOM-valproic DOM-valproic acid e.c. DPA Delepsine Depakene Depakin Depakin chrono Depakine Depakine chrono Depakote Deproic Di-N-propylacetate Di-N-propylacetic acid Di-N-propylessigsaeure Di-N-propylessigsaure Dipropyl acetate Dipropylacetate Dipropylacetic acid Divalproex Divalproex sodium Dom-valproate Dom-valproic acid Dom-valproic acid syrup Epiject i.v. Epilex Epilim Epival Epival er Ergenyl Gen-divalproex Kyselina 2-propylvalerova Magnesium valproate Med valproic Mylproin Myproate Myproic acid N-DPA N-Dipropylacetic acid Novo-divalproex Novo-valproic Novo-valproic - ecc Novo-valproic soft gel cap Nu-valproic PEAC PHL-Valproate PHL-Valproic acid PHL-Valproic acid e.c. PMS-Divalproex PMS-Valproate PMS-Valproic acid PMS-Valproic acid e.c. Penta-valproic Propylisopropylacetic acid Propylvaleric acid Ratio-valproic - ecc S(-)-4-En-valproate S(-)-4-En-valproic acid S-2-N-Propyl-4-pentenoate S-2-N-Propyl-4-pentenoic acid Sandoz valproic Savicol Semisodium valproate Sodium valproate Sodium, divalproex Sodium, valproate Sprinkle VPA Valcote Valparin Valproate Valproate calcium Valproate sodium Valproate, calcium Valproate, magnesium Valproate, semisodium Valproate, sodium Valproic acid usp Valproic acid, sodium salt (2:1) Valproinsaeure Vupral valproic acid
kegg.compound:C07185 keggC:C07185 NIJJYAXOARWZEE-UHFFFAOYSA-N	Valproic acid 2-Propylpentanoic acid
seed.compound:cpd16327 seedM:cpd16327 NIJJYAXOARWZEE-UHFFFAOYSA-M	Valproic acid 2-propylpentanoate 2-propylpentanoic acid valproate valproic acid
lipidmaps:LMFA01020291 lipidmapsM:LMFA01020291 NIJJYAXOARWZEE-UHFFFAOYSA-N	Valproic acid 2-propylpentanoic acid FA 8:0
envipath:...a3cf95dd4f33 envipathM:...a3cf95dd4f33 NIJJYAXOARWZEE-UHFFFAOYSA-N	compound 0060544
metacyc.compound:CPD-19635 metacycM:CPD-19635 NIJJYAXOARWZEE-UHFFFAOYSA-M	valproate 2-propylpentanoate 2-propylpentanoic acid valproic acid
CHEBI:60654 chebi:60654 NIJJYAXOARWZEE-UHFFFAOYSA-M	valproate 2-propylpentanoate 2-propylvalerate dipropylacetate
hmdb:HMDB01877 chebi:115217 chebi:39858 chebi:68615 chebi:9926 keggC:M_C07185 keggD:M_D00399 seedM:M_cpd16327	secondary/obsolete/fantasy identifier