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neomethymycin

MNXM8939 is deprecated and here replaced by MNXM1364049
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364049 Image of MNXM1364049
referencechebi:77353
formulaC25H44NO7
global charge1
mol weight470.627
InChIKeyUEIVQYHYALXCBD-OTUJEKPESA-O
InChIInChI=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
SMILESC[C@@H]1C[C@H]([NH+](C)C)[C@@H](O)[C@H](O[C@H]2[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O1
MNX internals
InChI (mnx)InChI=1/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/b10-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1 Image of MNXM1364049
SMILES (mnx)[CH3:1][C@@H:13]1/[CH:9]=[CH:10]/[C:20](=[O:28])[C@H:14]([CH3:2])[CH2:11][C@H:15]([CH3:3])[C@H:22]([O:33][C@H:25]2[C@H:21]([OH:29])[C@@H:19]([N:26]([CH3:7])[CH3:8])[CH2:12][C@@H:16]([CH3:4])[O:31]2)[C@@H:17]([CH3:5])[C:24](=[O:30])[O:32][C@@H:23]1[C@@H:18]([CH3:6])[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77353
chebi:77353
UEIVQYHYALXCBD-OTUJEKPESA-O 		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
vmhM:nmthmcn
vmhmetabolite:nmthmcn
UEIVQYHYALXCBD-OTUJEKPESA-N 		Neomethymycin

seed.compound:cpd08792
seedM:cpd08792
UEIVQYHYALXCBD-OTUJEKPESA-O 		Neomethymycin
neomethymycin

metacyc.compound:CPD-13833
metacycM:CPD-13833
UEIVQYHYALXCBD-OTUJEKPESA-O 		neomethymycin

CHEBI:29656
chebi:29656
UEIVQYHYALXCBD-OTUJEKPESA-N 		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
vmhM:M_nmthmcn 		secondary/obsolete/fantasy identifier