CHEBI:17876 - rifamycin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rifamycin B
ChEBI ID CHEBI:17876
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26578, CHEBI:8859, CHEBI:15053
Supplier Information
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Formula C39H49NO14
Net Charge 0
Average Mass 755.80470
Monoisotopic Mass 755.315
InChI InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1
InChIKey SQTCRTQCPJICLD-KTQDUKAHSA-N
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(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)cc(OCC(O)=O)c4c3C2=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rifamycin B (CHEBI:17876) is a acetate ester (CHEBI:47622)
rifamycin B (CHEBI:17876) is a carboxylic acid (CHEBI:33575)
rifamycin B (CHEBI:17876) is a organic heterotetracyclic compound (CHEBI:38163)
rifamycin B (CHEBI:17876) is a rifamycins (CHEBI:26580)
rifamycin B (CHEBI:17876) is conjugate acid of rifamycin B(2−) (CHEBI:58306)
Incoming rifamycin B(2−) (CHEBI:58306) is conjugate base of rifamycin B (CHEBI:17876)
IUPAC Name
[(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetyloxy-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yloxy]acetic acid
Synonyms Sources
4-O-(Carboxymethyl)rifamycin ChemIDplus
Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)-oxy)-, 21-acetate ChemIDplus
Rifamycin B KEGG COMPOUND
Database Links Databases
C01848 KEGG COMPOUND
LMPK05000003 LIPID MAPS
View more database links
Registry Number Type Source
13929-35-6 CAS Registry Number KEGG COMPOUND
Last Modified
10 May 2016