Feedback

rifampicin

MNXM740426 is deprecated and replaced by MNXM740424

Properties

Image

Occurences in reactions

MNX_ID

MNXM740424

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	4

formula

C₄₃H₅₈N₄O₁₂

charge

mass

822.40512

reference

chebi:71365

InChIKey

JQXXHWHPUNPDRT-WLSIYKJHSA-N

InChI

InChI=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

SMILES

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(c(/C=N/N5CC[NH+](C)CC5)c(O)c4c3C2=O)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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71365 chebi:71365	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
sabiork.compound:8846 sabiorkM:8846 kegg.compound:C06688 keggC:C06688	Rifampicin Rifampin
bigg.metabolite:rfamp biggM:rfamp	Rifampin
kegg.drug:D00211 keggD:D00211	Rifampin (USP) Rifadin (TN) Rifampicin (JP18/INN) Rimactane (TN)
hmdb:HMDB0015179	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	Rifampin Rifampicin
CHEBI:28077 chebi:28077	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	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	secondary/obsolete/fantasy identifier