rifamycin B (CHEBI:17876)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17876 - rifamycin B

Take structure to advanced search

ChEBI ID	CHEBI:17876
ChEBI Name	rifamycin B
Stars
Secondary ChEBI IDs	CHEBI:8859, CHEBI:15053, CHEBI:26578
Last Modified	10 May 2016
Downloads	Molfile

Formula	C39H49NO14
Net Charge	0
Average Mass	755.814
Monoisotopic Mass	755.31531
SMILES	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)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
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

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
Rifamycin B	KEGG COMPOUND
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
4-O-(Carboxymethyl)rifamycin	ChemIDplus

Manual Xrefs	Databases
C01848	KEGG COMPOUND
LMPK05000003	LIPID MAPS

Registry Numbers	Sources
CAS:13929-35-6	KEGG COMPOUND