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

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zidovudine

	Properties	Image
MNX_ID	MNXM89353
reference	chebi:10110
formula	C₁₀H₁₃N₅O₄
global charge	0
mol weight	267.245
InChIKey	HBOMLICNUCNMMY-XLPZGREQSA-N
InChI	InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
SMILES	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
SMILES (mnx)	[CH3:1][C:5]1=[CH:3][N:15]([C@H:8]2[CH2:2][C@H:6]([N:13]=[N+:14]=[N-:11])[C@@H:7]([CH2:4][OH:16])[O:19]2)[C:10](=[O:18])[N:12]=[C:9]1[OH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10110 chebi:10110 HBOMLICNUCNMMY-XLPZGREQSA-N	zidovudine 3'-azido-3'-deoxythymidine AZT Azidothymidine Retrovir Zidovudin Zidovudinum
metacyc.compound:CPD-15110 metacycM:CPD-15110 HBOMLICNUCNMMY-XLPZGREQSA-N	3'-azido-3'-deoxythymidine AZT azidothymidine zidovudine zidovudinum
seed.compound:cpd04448 seedM:cpd04448 HBOMLICNUCNMMY-XLPZGREQSA-N	AZT 3'-Azido-3'-deoxythymidine 3'-azido-3'-deoxythymidine Azidothymidine Zidovudine azidothymidine zidovudine zidovudinum
kegg.drug:D00413 keggD:D00413 HBOMLICNUCNMMY-XLPZGREQSA-N	Zidovudine (JP18/USP/INN) ABBR AZT, ZDV Azidothymidine Retrovir (TN)
hmdb:HMDB0014638 HBOMLICNUCNMMY-XLPZGREQSA-N	Zidovudine 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 3' Azido 2',3' dideoxythymidine 3' Azido 3' deoxythymidine 3'-Azido-2',3'-dideoxythymidine 3'-Azido-3'-deoxythymidine AZT AZT (antiviral) AZT antiviral AZT, antiviral Antiviral azt Azidothymidine BW a509U BWA 509u BWA-509u BWA509u Retrovir Zidovudin Zidovudinum zidovudine
sabiork.compound:9324 sabiorkM:9324 HBOMLICNUCNMMY-XLPZGREQSA-N	Zidovudine 3'-Azido-3'-deoxythymidine AZT
kegg.compound:C07210 keggC:C07210 HBOMLICNUCNMMY-XLPZGREQSA-N	Zidovudine 3'-Azido-3'-deoxythymidine AZT Azidothymidine
hmdb:HMDB14638 chebi:619601 keggC:M_C07210 keggD:M_D00413 seedM:M_cpd04448	secondary/obsolete/fantasy identifier