Feedback

neomethymycin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104912

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

formula

C₂₅H₄₄NO₇

charge

mass

470.31123

reference

chebi:77353

InChIKey

UEIVQYHYALXCBD-OTUJEKPESA-O

InChI

InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/p+1/b10-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1

SMILES

C[C@H]1C[C@@H](C)C(=O)/C=C/[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77353 chebi:77353	neomethymycin (3R,4S,5S,7R,9E,11R,12S)-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranoside neomethymycin(1+)
kegg.compound:C11995 keggC:C11995 lipidmaps:LMPK04000036 lipidmapsM:LMPK04000036	Neomethymycin
seed.compound:cpd08792 seedM:cpd08792	Neomethymycin neomethymycin
metacyc.compound:CPD-13833 metacycM:CPD-13833	neomethymycin
CHEBI:29656 chebi:29656	neomethymycin (3R,4S,5S,7R,9E,11R,12S)-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
keggC:M_C11995 seedM:M_cpd08792	secondary/obsolete/fantasy identifier