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

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alcaligin

	Properties	Image
MNX_ID	MNXM15793
reference	chebi:50434
formula	C₁₆H₂₈N₄O₈
global charge	0
mol weight	404.42
InChIKey	OZZLZFXDNDCIOU-RYUDHWBXSA-N
InChI	InChI=1S/C16H28N4O8/c21-11-6-8-20(28)16(26)4-2-14(24)18-10-12(22)5-7-19(27)15(25)3-1-13(23)17-9-11/h11-12,21-22,27-28H,1-10H2,(H,17,23)(H,18,24)/t11-,12-/m0/s1
SMILES	O=C1CCC(=O)N(O)CC[C@H](O)CNC(=O)CCC(=O)N(O)CC[C@H](O)CN1

MNX internals

InChI (mnx)	InChI=1/C16H28N4O8/c21-11-6-8-20(28)16(26)4-2-14(24)18-10-12(22)5-7-19(27)15(25)3-1-13(23)17-9-11/h11-12,21-22,27-28H,1-10H2,(H,17,23)(H,18,24)/t11-,12-/m0/s1
SMILES (mnx)	[CH2:1]1[CH2:3][C:15](=[O:25])[N:19]([OH:27])[CH2:7][CH2:5][C@H:12]([OH:22])[CH2:10][N:18]=[C:14]([OH:24])[CH2:2][CH2:4][C:16](=[O:26])[N:20]([OH:28])[CH2:8][CH2:6][C@H:11]([OH:21])[CH2:9][N:17]=[C:13]1[OH:23]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50434 chebi:50434 OZZLZFXDNDCIOU-RYUDHWBXSA-N	alcaligin (8S,18S)-1,8,11,18-tetrahydroxy-1,6,11,16-tetraazacycloicosane-2,5,12,15-tetrone
metacyc.compound:CPD-11968 metacycM:CPD-11968 seed.compound:cpd23168 seedM:cpd23168 OZZLZFXDNDCIOU-RYUDHWBXSA-N	alcaligin
seedM:M_cpd23168	secondary/obsolete/fantasy identifier