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

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stavudine

	Properties	Image
MNX_ID	MNXM82711
reference	chebi:63581
formula	C₁₀H₁₂N₂O₄
global charge	0
mol weight	224.216
InChIKey	XNKLLVCARDGLGL-JGVFFNPUSA-N
InChI	InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
SMILES	CC1=CN([C@H]2C=C[C@@H](CO)O2)C(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
SMILES (mnx)	[CH3:1][C:6]1=[CH:4][N:12]([C@H:8]2[CH:3]=[CH:2][C@@H:7]([CH2:5][OH:13])[O:16]2)[C:10](=[O:15])[N:11]=[C:9]1[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63581 chebi:63581 XNKLLVCARDGLGL-JGVFFNPUSA-N	stavudine 1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione 2',3'-Didehydro-3'-deoxythimidine 3'-Deoxy-2'-thymidinene STV Sanilvudine Stavudine d4T estavudina stavudinum
kegg.drug:D00445 keggD:D00445 XNKLLVCARDGLGL-JGVFFNPUSA-N	Stavudine (USAN/INN) ABBR d4T Sanilvudine (JAN) Zerit (TN)
hmdb:HMDB0014787 XNKLLVCARDGLGL-JGVFFNPUSA-N	Stavudine 1-(2,3-Dideoxy-b-D-glycero-pent-2-enofuranosyl)thymine 1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 2',3' Didehydro 3' deoxythymidine 2',3'-Didehydro-2',3'-dideoxythmidine 2',3'-Didehydro-3'-deoxythimidine 2',3'-Didehydro-3'-deoxythymidine 3'-Deoxy-2'-thymidinene ABBR D4T Bristol-myers brand OF stavudine Bristol-myers squibb brand OF stavudine Estavudina STV Sanilvudine Stavudine, monosodium salt Stavudinum Zerit d4T stavudine
kegg.compound:C07312 keggC:C07312 XNKLLVCARDGLGL-JGVFFNPUSA-N	Stavudine 2',3'-Didehydro-3'-deoxythimidine Sanilvudine d4T
sabiork.compound:9423 sabiorkM:9423 XNKLLVCARDGLGL-JGVFFNPUSA-N	Stavudine 2',3'-Didehydro-3'-deoxythymidine Sanilvudine d4T
seed.compound:cpd04518 seedM:cpd04518 XNKLLVCARDGLGL-JGVFFNPUSA-N	d4T 2',3'-Didehydro-3'-deoxythimidine Sanilvudine Stavudine
hmdb:HMDB14787 chebi:9253 keggC:M_C07312 keggD:M_D00445 seedM:M_cpd04518	secondary/obsolete/fantasy identifier