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erythromycin A

MNXM729276 is deprecated and here replaced by MNXM1363597
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363597 Image of MNXM1363597
referencechebi:64268
formulaC37H68NO13
global charge1
mol weight734.945
InChIKeyULGZDMOVFRHVEP-RWJQBGPGSA-O
InChIInChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,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@]1(C)O
MNX internals
InChI (mnx)InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 Image of MNXM1363597
SMILES (mnx)[CH3:1][CH2:14][C@@H:25]1[C@@:37]([CH3:10])([OH:45])[C@H:30]([OH:41])[C@@H:20]([CH3:4])[C:27](=[O:39])[C@H:18]([CH3:2])[CH2:16][C@@:35]([CH3:8])([OH:44])[C@H:32]([O:51][C@H:34]2[C@H:28]([OH:40])[C@@H:24]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:47]2)[C@@H:21]([CH3:5])[C@H:29]([O:50][C@H:26]2[CH2:17][C@@:36]([CH3:9])([O:46][CH3:13])[C@@H:31]([OH:42])[C@H:23]([CH3:7])[O:48]2)[C@@H:22]([CH3:6])[C:33](=[O:43])[O:49]1
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:64268
chebi:64268
ULGZDMOVFRHVEP-RWJQBGPGSA-O 		erythromycin A
erythromycin A cation
erythromycin A(1+)

seed.compound:cpd01313
seedM:cpd01313
ULGZDMOVFRHVEP-RWJQBGPGSA-O 		Abomacetin
Erythromycin
Erythromycin A
erythromycin A
ilotycin

lipidmaps:LMPK04000006
lipidmapsM:LMPK04000006
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		Erythromycin

kegg.drug:D00140
keggD:D00140
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		Erythromycin (JP18/USP/INN)
Akne-mycin (TN)
Eryc (TN)
Erygel (TN)
Pce (TN)
Staticin (TN)
T-stat (TN)

vmhM:ermcna
vmhmetabolite:ermcna
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		Erythromycin A
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethy
hmdb:HMDB0014344
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		Erythromycin
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
3''-O-Demethylerythromycin
Abomacetin
Akne-mycin
C, Erythromycin
EM
Eritromicina
Erthromycin
Eryc
Erycette
Erygel
Erymax
Erythrocin stearate
Erythromycin C
Erythromycin a
Erythromycin ethylsuccinate
Erythromycin glucoheptonate
Erythromycin lactate
Erythromycin lactobionate
Erythromycin oxime
Erythromycin phosphate
Erythromycin stearate
Erythromycine
Erythromycinum
Ilotycin
Lactate, erythromycin
Pce
Phosphate, erythromycin
Staticin
T Stat
T-Stat
TStat
erythromycin

sabiork.compound:5882
sabiorkM:5882
kegg.compound:C01912
keggC:C01912
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		Erythromycin
Abomacetin
Erythromycin A

envipath:...57333976de0f
envipathM:...57333976de0f
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		compound 0052667

CHEBI:42355
chebi:42355
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		erythromycin A
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
3''-O-demethylerythromycin
Abomacetin
ERYTHROMYCIN
ERYTHROMYCIN A
Erythromycin
Erythromycin A
Erythromycin C
eritromicina
erthromycin
erythromycin
erythromycine
erythromycinum

metacyc.compound:CPD-13804
metacycM:CPD-13804
ULGZDMOVFRHVEP-RWJQBGPGSA-O 		erythromycin A
ilotycin

CHEBI:145339
chebi:145339
ULGZDMOVFRHVEP-RWJQBGPGSA-N 		erythromycin-[N-methyl-(14)C]
(14)C-N-methyl-erythromycin
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((1(14)C)methyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
[(14)C-N-methyl]-erythromycin
[N-methyl-(14)C]-erythromycin
[N-methyl-(14)C]erythromycin
erythromycin N-methyl C-14

hmdb:HMDB14344
chebi:112506
chebi:23950
chebi:28672
chebi:42352
chebi:4841
chebi:4843
keggC:M_C01912
keggD:M_D00140
seedM:M_cpd01313
vmhM:M_ermcna 		secondary/obsolete/fantasy identifier