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

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Actinonin

	Properties	Image
MNX_ID	MNXM40190
reference	keggC:C12056
formula	C₁₉H₃₅N₃O₅
global charge	0
mol weight	385.505
InChIKey	XJLATMLVMSFZBN-VYDXJSESSA-N
InChI	InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
SMILES	CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C

MNX internals

InChI (mnx)	InChI=1/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:5][CH2:6][CH2:8][C@H:14]([CH2:11][C:16](=[N:21][OH:27])[OH:24])[C:18](=[N:20][C@@H:17]([CH:13]([CH3:2])[CH3:3])[C:19]([N:22]1[CH2:10][CH2:7][CH2:9][C@H:15]1[CH2:12][OH:23])=[O:26])[OH:25]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C12056 keggC:C12056 XJLATMLVMSFZBN-VYDXJSESSA-N	Actinonin
hmdb:HMDB0242670 XJLATMLVMSFZBN-UHFFFAOYSA-N	Actinonin 2-[(Dihydroxycarbonimidoyl)methyl]-N-{1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}heptanimidate N'-hydroxy-N-{1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-pentylbutanediamide N'-hydroxy-N-{1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-pentylsuccinamide
seed.compound:cpd08847 seedM:cpd08847 XJLATMLVMSFZBN-VYDXJSESSA-N	Actinonin actinonin
metacyc.compound:CPD0-1358 metacycM:CPD0-1358 CHEBI:41045 chebi:41045 XJLATMLVMSFZBN-VYDXJSESSA-N	actinonin
chebi:29511 keggC:M_C12056 seedM:M_cpd08847	secondary/obsolete/fantasy identifier