CHEBI:52138 - 4-O-phosphohygromycin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-O-phosphohygromycin B
ChEBI ID CHEBI:52138
ChEBI ASCII Name 4-O-phosphohygromycin B
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H38N3O16P
Net Charge 0
Average Mass 607.50000
Monoisotopic Mass 607.19897
InChI InChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6?,7+,8-,9+,10+,11-,12+,13-,14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKey SYTZKXOAVUXHFS-DMVNDESQSA-N
SMILES CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1OP(O)(O)=O
ChEBI Ontology
Outgoing 4-O-phosphohygromycin B (CHEBI:52138) has functional parent hygromycin B (CHEBI:16976)
4-O-phosphohygromycin B (CHEBI:52138) is a aminoglycoside phosphate (CHEBI:36974)
4-O-phosphohygromycin B (CHEBI:52138) is a ortho ester (CHEBI:71989)
4-O-phosphohygromycin B (CHEBI:52138) is conjugate base of 4-O-phosphohygromycin B(1+) (CHEBI:59917)
Incoming 4-O-phosphohygromycin B(1+) (CHEBI:59917) is conjugate acid of 4-O-phosphohygromycin B (CHEBI:52138)
IUPAC Name
(1R,2S,3R,5S,6R)-3-amino-2-hydroxy-5-(methylamino)-6-(phosphonooxy)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-β-D-talopyranoside
Synonym Source
4-O-phosphorylhygromycin B ChEBI
Last Modified
01 February 2013