From c77f9348a71e4c6b2b8b19ff83f4b86a7e8a6239 Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Fri, 13 Mar 2020 18:33:58 +0530
Subject: Removed valproic acid files

---
 ChEBI_39867 (1).sdf | 115 ----------------------------------------------------
 1 file changed, 115 deletions(-)
 delete mode 100644 ChEBI_39867 (1).sdf

(limited to 'ChEBI_39867 (1).sdf')

diff --git a/ChEBI_39867 (1).sdf b/ChEBI_39867 (1).sdf
deleted file mode 100644
index 80eff2c..0000000
--- a/ChEBI_39867 (1).sdf	
+++ /dev/null
@@ -1,115 +0,0 @@
-
-Mrv0541 12311313022D          
-
- 10  9  0  0  0  0            999 V2000
-   -1.7786   -7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.4930   -8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.2074   -7.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0641   -8.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0641   -9.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.7785   -9.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.7785  -10.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3496   -6.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3496   -7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.3649   -8.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-  9  4  1  0  0  0  0
-  4  1  1  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  4  5  1  0  0  0  0
-  5  6  1  0  0  0  0
-  6  7  1  0  0  0  0
-  9  8  2  0  0  0  0
-  9 10  1  0  0  0  0
-M  END
-> <ID>
-CHEBI:39867
-
-> <NAME>
-valproic acid
-
-> <DEFINITION>
-A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.
-
-> <STAR>
-3
-
-> <SECONDARY_ID>
-CHEBI:9926; CHEBI:39858; CHEBI:115217
-
-> <SYNONYM>
-VPA; Valproinsaeure; VALPROIC ACID; n-DPA; DPA; dipropylacetic acid; Di-n-propylessigsaeure; di-n-propylacetic acid; 4-heptanecarboxylic acid; 2-propylvaleric acid; 2-propylpentanoic acid; 2-PROPYL-PENTANOIC ACID; 2-n-propyl-n-valeric acid
-
-> <IUPAC_NAME>
-2-propylpentanoic acid
-
-> <INN>
-valproic acid; acidum valproicum; acido valproico; acide valproique
-
-> <BRAND_NAME>
-Depakene
-
-> <FORMULA>
-C8H16O2
-
-> <MASS>
-144.21140
-
-> <MONOISOTOPIC_MASS>
-144.11503
-
-> <CHARGE>
-0
-
-> <SMILES>
-CCCC(CCC)C(O)=O
-
-> <INCHI>
-InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
-
-> <INCHIKEY>
-NIJJYAXOARWZEE-UHFFFAOYSA-N
-
-> <BEILSTEIN_REGISTRY_NUMBER>
-1750447
-
-> <CAS_REGISTRY_NUMBER>
-99-66-1
-
-> <REAXYS_REGISTRY_NUMBER>
-1750447
-
-> <CHEMIDPLUS>
-99-66-1
-
-> <DRUGBANK_ACCESSION>
-DB00313
-
-> <HMDB_ACCESSION>
-HMDB0001877
-
-> <KEGG_COMPOUND_ACCESSION>
-C07185
-
-> <KEGG_DRUG_ACCESSION>
-D00399
-
-> <LINCS_ACCESSION>
-LSM-4620
-
-> <LIPID_MAPS_INSTANCE_ACCESSION>
-LMFA01020291
-
-> <NIST_CHEMISTRY_WEBBOOK>
-99-66-1
-
-> <PDBECHEM_ACCESSION>
-2PP
-
-> <WIKIPEDIA_ACCESSION>
-Valproic_Acid
-
-> <PUBMED_CITATION>
-11716839; 12475192; 15124690; 15560954; 15578701; 16496131; 16621443; 16759735; 17156483; 17273758; 19280426; 19318486; 23792104; 23810771; 23949302; 24135375; 24200999; 24348849; 8558327; 8681902
-
-$$$$
-- 
cgit v1.2.3