CHEBI:140276 - 21-phosphorifampicin

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ChEBI Name 21-phosphorifampicin ChEBI ID CHEBI:140276 Definition A member of the class of rifamycins that is rifamycin itself in which the hydroxy hydrogen at position 21 has been replaced by a phosphono group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C43H59N4O15P Net Charge 0 Average Mass 902.922 Monoisotopic Mass 902.37145 InChI InChI=1S/C43H59N4O15P/c1-21-12-11-13-22(2)42(54)45-33-28(20-44-47-17-15-46(9)16-18-47)36(51)30-31(37(33)52)35(50)26(6)40-32(30)41(53)43(8,61-40)59-19-14-29(58-10)23(3)39(60-27(7)48)25(5)34(49)24(4)38(21)62-63(55,56)57/h11-14,19-21,23-25,29,34,38-39,49-52H,15-18H2,1-10H3,(H,45,54)(H2,55,56,57)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24-,25+,29-,34+,38-,39+,43-/m0/s1 InChIKey DLPFYGTUMXCNLJ-WSSVZIAPSA-N SMILES C1=2C(=C(C=3O[C@]4(C(C3C1=C(C(=C(C2O)NC(C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](C=CO4)OC)C)OC(C)=O)C)O)C)OP(=O)(O)O)C)C)=O)/C=N/N5CCN(CC5)C)O)=O)C)C)O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 21-phosphorifampicin (CHEBI:140276) has functional parent rifampicin (CHEBI:28077) 21-phosphorifampicin (CHEBI:140276) is a N-iminopiperazine (CHEBI:46847) 21-phosphorifampicin (CHEBI:140276) is a N-methylpiperazine (CHEBI:46920) 21-phosphorifampicin (CHEBI:140276) is a cyclic ketal (CHEBI:59779) 21-phosphorifampicin (CHEBI:140276) is a hydrazone (CHEBI:38532) 21-phosphorifampicin (CHEBI:140276) is a phosphate monoester (CHEBI:7794) 21-phosphorifampicin (CHEBI:140276) is a rifamycins (CHEBI:26580) 21-phosphorifampicin (CHEBI:140276) is a semisynthetic derivative (CHEBI:72588) 21-phosphorifampicin (CHEBI:140276) is conjugate acid of 21-phosphorifampicin(2−) (CHEBI:140195) Incoming 21-phosphorifampicin(2−) (CHEBI:140195) is conjugate base of 21-phosphorifampicin (CHEBI:140276) IUPAC Name (2S,12Z,14E,16S,17S,18S,19S,20R,21S,22R,23S,24E)-5,6,9,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,11-dioxo-17-(phosphonooxy)-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate Manual Xref Database CPD-20026 MetaCyc View more database links Citations Types Sources 24778229 PubMed citation Europe PMC 27103605 PubMed citation Europe PMC Last Modified 26 February 2018