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

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desferrioxamine B

	Properties	Image
MNX_ID	MNXM1364553
reference	chebi:4356
formula	C₂₅H₄₈N₆O₈
global charge	0
mol weight	560.693
InChIKey	UBQYURCVBFRUQT-UHFFFAOYSA-N
InChI	InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
SMILES	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN

MNX internals

InChI (mnx)	InChI=1/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
SMILES (mnx)	[CH3:1][C:21]([N:29]([CH2:18][CH2:9][CH2:3][CH2:6][CH2:16][N:27]=[C:22]([CH2:12][CH2:14][C:25]([N:31]([CH2:20][CH2:10][CH2:4][CH2:7][CH2:17][N:28]=[C:23]([CH2:11][CH2:13][C:24]([N:30]([CH2:19][CH2:8][CH2:2][CH2:5][CH2:15][NH2:26])[OH:38])=[O:35])[OH:34])[OH:39])=[O:36])[OH:33])[OH:37])=[O:32]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4356 chebi:4356 UBQYURCVBFRUQT-UHFFFAOYSA-N	desferrioxamine B DFO DFOB Deferoxamin Deferrioxamine Desferrioxamine N'-{5-[acetyl(hydroxy)amino]pentyl}-N-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N-hydroxybutanediamide N(4)-{5-[acetyl(hydroxy)amino]pentyl}-N(1)-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N(1)-hydroxybutanediamide deferoxamina deferoxamine deferoxaminum deferrioxamine B desferrioxamine-B
kegg.compound:C06940 keggC:C06940 UBQYURCVBFRUQT-UHFFFAOYSA-N	Deferoxamine
hmdb:HMDB0014884 UBQYURCVBFRUQT-UHFFFAOYSA-N	Deferoxamine DF b DFO DFOA DFOM Deferoxamide b Deferoxamin Deferoxamina Deferoxamine b Deferoxamine mesilate Deferoxamine mesylate Deferoxamine methanesulfonate Deferoxaminum Deferoximine Deferrioxamine Deferrioxamine b Desferal Desferioximine Desferrioxamine Desferrioxamine b Desferrioxamine b mesylate Desferroxamine Mesilate, deferoxamine Mesylate, deferoxamine Mesylate, desferrioxamine b Methanesulfonate, deferoxamine N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]succinamide N-Benzoylferrioxamine b b, Deferoxamine b, Desferrioxamine
lipidmaps:LMFA08020169 lipidmapsM:LMFA08020169 UBQYURCVBFRUQT-UHFFFAOYSA-N	Deferoxamine N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide
seed.compound:cpd04273 seedM:cpd04273 UBQYURCVBFRUQT-UHFFFAOYSA-O	Deferoxamine deferoxamine deferoxamine mesylate deferrioxamine B desferal desferrioxamine B
bigg.metabolite:feoxam_un biggM:feoxam_un UBQYURCVBFRUQT-UHFFFAOYSA-O	Ferroxamine minus Fe(3)
seed.compound:cpd23947 seedM:cpd23947 UBQYURCVBFRUQT-UHFFFAOYSA-O	deferoxamine Deferoxamine deferoxamine mesylate deferrioxamine B desferal desferrioxamine B
metacyc.compound:CPD-3764 metacycM:CPD-3764 UBQYURCVBFRUQT-UHFFFAOYSA-O	desferrioxamine B deferoxamine deferrioxamine B
CHEBI:195191 chebi:195191 UBQYURCVBFRUQT-UHFFFAOYSA-O	desferrioxamine B desferrioxamine B(1+) desferrioxaminium B
seed.compound:cpd15463 seedM:cpd15463 UBQYURCVBFRUQT-UHFFFAOYSA-O	ferroxamine minus Fe(3) feoxam-un
hmdb:HMDB14884 biggM:M_feoxam_un keggC:M_C06940 seedM:M_cpd04273 seedM:M_cpd15463 seedM:M_cpd23947	secondary/obsolete/fantasy identifier