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

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cytarabine

	Properties	Image
MNX_ID	MNXM1363926
reference	chebi:28680
formula	C₉H₁₃N₃O₅
global charge	0
mol weight	243.219
InChIKey	UHDGCWIWMRVCDJ-CCXZUQQUSA-N
InChI	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
SMILES	NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][N:12]([C@H:8]2[C@@H:7]([OH:15])[C@H:6]([OH:14])[C@@H:4]([CH2:3][OH:13])[O:17]2)[C:9]([OH:16])=[N:11][C:5]1=[NH:10]

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:28680 chebi:28680 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	cytarabine 1-beta-D-Arabinofuranosylcytosine 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one Arabinoside C Cytarabine Cytosine arabinoside Cytosine-1-beta-D-arabinofuranoside ara-C arabinocytosine citarabina cytarabinum cytosine-beta-D-arabinofuranoside
kegg.drug:D00168 keggD:D00168 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine (JP18/USP/INN) ARA-C Depocyt (TN)
hmdb:HMDB0015122 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine (beta-D-Arabinofuranosyl)cytosine 1-Arabinofuranosylcytosine 1-b-D-Arabinofuranosylcytosine 1-beta -D-Arabinofaranosylcytosine 1-beta -D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone 1-beta -D-Arabinofuranosylcytosine 1-beta-D-Arabinofaranosylcytosine 1-beta-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone 1-beta-D-Arabinofuranosyl-cytosine 1-beta-D-Arabinofuranosylcytosine 1-beta-D-Arabinofuranosylcytosine, cytosine arabinoside 1-beta-D-Arabinosyl-cytosine 1-beta-D-Arabinosylcytosine 1-beta-D-arabinofuranosylcytosine 1beta -Arabinofuranasylcytosine 1beta -D-Arabinofuranosylcytosine 1beta -D-Arabinosylcytosine 1beta-Arabinofuranasylcytosine 1beta-D-Arabinofuranosylcytosine 1beta-D-Arabinosylcytosine 2(1H)-Pyrimidinone, 4-amino-1- -D-arabinofuranosyl 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine 4-Amino-1-b-D-arabinofuranosyl-2(1H)-pyrimidinone 4-Amino-1-b-D-arabinofuranosyl-2-(1H)-pyrimidinone 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone 4-Amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one Alexan Ara C Ara-C AraC Arabinocytidine Arabinocytosine Arabinofuranosylcytosine Arabinoside C Arabinoside, cytosine Arabinosylcytosine Arabitin Aracytidine Aracytin Aracytine Arafcyt Citarabina Cytarabin Cytarabina Cytarabine hydrochloride Cytarabine liposome injection Cytarabinoside Cytarabinum Cytonal Cytosar Cytosar u Cytosar-u CytosarU Cytosine 1-beta-D-arabinofuranoside Cytosine arabinofuranoside Cytosine arabinose Cytosine arabinoside Cytosine beta-D-arabinofuranoside Cytosine beta-D-arabinoside Cytosine, beta -D-arabinoside Cytosine, beta-D-arabinoside Cytosine-1-b-D-arabinofuranoside Cytosine-1-beta-D-arabinofuranoside Cytosine-1-beta-D-arabinofuranoside hydrochloride Cytosine-b-D-arabinofuranoside Cytosine-beta -D-arabinofuranoside Cytosine-beta -arabinoside Cytosine-beta-D-arabinofuranoside Cytosine-beta-arabinoside Cytosinearabinoside Depocyt Depocyte Erpalfa Hydrochloride, cytarabine Iretin Spongocytidine Tarabine Udicil beta -Arabinosylcytosine beta -Cytosine arabinoside beta -D-Arabinosylcytosine beta Ara C beta-Ara c beta-Arabinosylcytosine beta-Cytosine arabinoside beta-D-Arabinosylcytosine cytarabine
sabiork.compound:2607 sabiorkM:2607 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine 1-beta-D-Arabinofuranosylcytosine AraC Cytosine arabinoside Cytosine-1-beta-D-arabinofuranoside
seed.compound:cpd01900 seedM:cpd01900 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine 1-beta-D-arabinofuranosylcytosine 4-amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone Ara-C Cytosine arabinoside Cytosine-1-beta-D-arabinofuranoside arabinofuranosyl cytidine cytarabine cytosine-1-beta-D-arabinofuranoside
kegg.compound:C02961 keggC:C02961 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	Cytarabine Ara-C Cytosine arabinoside Cytosine-1-beta-D-arabinofuranoside
metacyc.compound:CPD-15099 metacycM:CPD-15099 UHDGCWIWMRVCDJ-CCXZUQQUSA-N	cytarabine 1-beta-D-arabinofuranosylcytosine 4-amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone Ara-C arabinofuranosyl cytidine cytosine-1-beta-D-arabinofuranoside
hmdb:HMDB0030167 hmdb:HMDB15122 hmdb:HMDB30167 chebi:23532 chebi:4074 chebi:40824 keggC:M_C02961 keggD:M_D00168 seedM:M_cpd01900	secondary/obsolete/fantasy identifier