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2'-N-hydroxyrifampicin

Properties

Image

Occurences in reactions

MNX_ID

MNXM162491

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₄₃H₅₇N₄O₁₃

charge

-1

mass

837.39276

reference

chebi:90884

InChIKey

KCQOVEKQXVJLSR-ZTWDQPHTSA-M

InChI

InChI=1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)44-33-28(20-47(56)46-17-15-45(9)16-18-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51,53,56H,15-18H2,1-10H3,(H,44,55)/p-1/b12-11+,19-14+,22-13-,28-20+/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(c3C2=O)C(=O)/C(=C/N(O)N2CCN(C)CC2)C(=C4[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:90884 chebi:90884	2'-N-hydroxyrifampicin (2S,8E,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,17,19-trihydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-6-olate 2'-hydroxyrifampicin(1-)
kegg.compound:C21143 keggC:C21143	2'-N-Hydroxyrifampicin 2'-N-Hydroxy-4-oxorifampicin
metacyc.compound:CPD-18728 metacycM:CPD-18728	2'-N-hydroxyrifampicin
CHEBI:111544 chebi:111544	2'-hydroxyrifampicin (2S,8E,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,17,19-tetrahydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate 2'-N-hydroxyrifampicin
keggC:M_C21143	secondary/obsolete/fantasy identifier