Search MNXref
 Feedback

erythromycin B

MNXM3269 is deprecated and here replaced by MNXM1103329
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103329 Image of MNXM1103329
referencechebi:64279
formulaC37H68NO12
global charge1
mol weight718.946
InChIKeyIDRYSCOQVVUBIJ-PPGFLMPOSA-O
InChIInChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
MNX internals
InChI (mnx)InChI=1/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1 Image of MNXM1103329
SMILES (mnx)[CH3:1][CH2:14][C@@H:26]1[C@H:20]([CH3:4])[C@H:29]([OH:40])[C@@H:21]([CH3:5])[C:28](=[O:39])[C@H:18]([CH3:2])[CH2:16][C@@:36]([CH3:9])([OH:44])[C@H:33]([O:50][C@H:35]2[C@H:30]([OH:41])[C@@H:25]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:46]2)[C@@H:22]([CH3:6])[C@H:31]([O:49][C@H:27]2[CH2:17][C@@:37]([CH3:10])([O:45][CH3:13])[C@@H:32]([OH:42])[C@H:24]([CH3:8])[O:47]2)[C@@H:23]([CH3:7])[C:34](=[O:43])[O:48]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64279
chebi:64279
IDRYSCOQVVUBIJ-PPGFLMPOSA-O 		erythromycin B
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
erythromycin B cation
erythromycin B(1+)

kegg.drug:D03098
keggD:D03098
IDRYSCOQVVUBIJ-PPGFLMPOSA-N 		Berythromycin (USAN/INN)
Erythromycin B

lipidmaps:LMPK04000012
lipidmapsM:LMPK04000012
vmhM:ermcnb
vmhmetabolite:ermcnb
IDRYSCOQVVUBIJ-PPGFLMPOSA-N 		Erythromycin B

kegg.compound:C06653
keggC:C06653
IDRYSCOQVVUBIJ-PPGFLMPOSA-N 		Erythromycin B
Berythromycin

seed.compound:cpd04056
seedM:cpd04056
IDRYSCOQVVUBIJ-PPGFLMPOSA-O 		Erythromycin B
Berythromycin
erythromycin B

metacyc.compound:CPD-13805
metacycM:CPD-13805
IDRYSCOQVVUBIJ-PPGFLMPOSA-O 		erythromycin B

CHEBI:28196
chebi:28196
IDRYSCOQVVUBIJ-PPGFLMPOSA-N 		erythromycin B
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
12-deoxyerythromycin
Berythromycin
Erythromycin B
beritromicina
berythromycin
berythromycine
berythromycinum

chebi:23949
chebi:4842
keggC:M_C06653
keggD:M_D03098
seedM:M_cpd04056
vmhM:M_ermcnb 		secondary/obsolete/fantasy identifier