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rifampicin

MNXM740426 is deprecated and replaced by MNXM740424
PropertiesImage
MNX_IDMNXM740424 Image of MNXM740424
referencechebi:71365
formulaC43H58N4O12
global charge0
mol weight822.953
InChIKeyJQXXHWHPUNPDRT-WLSIYKJHSA-N
InChIInChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
SMILESCO[C@H]1/C=C/O[C@@]2(C)OC3=C(C)C([O-])=C4C(O)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(/C=N/N1CC[NH+](C)CC1)=C(O)C4=C3C2=O
MNX internals
InChI (mnx)InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 Image of MNXM740424
SMILES (mnx)[CH3:1][C@H:21]1/[CH:12]=[CH:11]/[CH:13]=[C:22]([CH3:2])\[C:42]([OH:55])=[N:45]/[C:33]2=[C:38]([OH:53])[C:31]3=[C:36]([OH:51])[C:26]([CH3:6])=[C:40]4[C:32](=[C:30]3[C:37]([OH:52])=[C:28]2/[CH:20]=[N:44]/[N:47]2[CH2:17][CH2:15][N:46]([CH3:9])[CH2:16][CH2:18]2)[C:41](=[O:54])[C@@:43]([CH3:8])([O:57]/[CH:19]=[CH:14]/[C@H:29]([O:56][CH3:10])[C@@H:23]([CH3:3])[C@@H:39]([O:58][C:27]([CH3:7])=[O:48])[C@H:25]([CH3:5])[C@H:35]([OH:50])[C@H:24]([CH3:4])[C@H:34]1[OH:49])[O:59]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71365
chebi:71365
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		rifampicin
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{(E)-[(4-methylpiperazin-4-ium-1-yl)imino]methyl}-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate
rifampicin zwitterion

seed.compound:cpd35147
seedM:cpd35147
JQXXHWHPUNPDRT-WLSIYKJHSA-O 		3-[(4-methylpiperazin-1-yl)iminomethyl]rifamycin
rifampicin
rifampin
hmdb:HMDB0257225
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		Rifampicin
2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methylpiperazin-1-yl)imino]methyl}-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1,.0,]triaconta-1(28),2,4,9,19,21,23,25(29),26-nonaen-13-yl acetic acid
2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate
Benemycin
Rifadin
Rifampin
Rimactan
Rimactane
Tubocin

sabiork.compound:8846
sabiorkM:8846
kegg.compound:C06688
keggC:C06688
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		Rifampicin
Rifampin

bigg.metabolite:rfamp
biggM:rfamp
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		Rifampin

kegg.drug:D00211
keggD:D00211
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		Rifampin (USP)
ABBR RIF
Rifadin (TN)
Rifampicin (JP18/INN)
Rimactane (TN)
hmdb:HMDB0015179
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		Rifampin
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methylpiperazin-1-yl)imino]methyl}-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,23,25(29),26-nonaen-13-yl acetate

seed.compound:cpd04089
seedM:cpd04089
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		Rifampin
Rifampicin

reactome:R-ALL-4755426
reactomeM:R-ALL-4755426
reactome:R-ALL-9639432
reactomeM:R-ALL-9639432
reactome:R-ALL-9695545
reactomeM:R-ALL-9695545
CHEBI:28077
chebi:28077
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		rifampicin
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate
3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV
RFP
Rifampicin
Rifampin
rifamcin
rifampicina
rifampicinum

metacyc.compound:CPD-18727
metacycM:CPD-18727
JQXXHWHPUNPDRT-WLSIYKJHSA-N 		rifampicin
3-[(4-methylpiperazin-1-yl)iminomethyl]rifamycin
rifampin

hmdb:HMDB15179
chebi:26577
chebi:45308
chebi:8858
biggM:M_rfamp
keggC:M_C06688
keggD:M_D00211
seedM:M_cpd04089
seedM:M_cpd35147 		secondary/obsolete/fantasy identifier