CHEBI:222617 - Muraminomicin Z2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Muraminomicin Z2
ChEBI ID CHEBI:222617
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H31N5O10
Net Charge 0
Average Mass 525.515
Monoisotopic Mass 525.20709
InChI InChI=1S/C22H31N5O10/c1-25-5-3-10(21(32)33)26(2)20(31)17(25)19(37-16-8-11(28)13(9-23)35-16)18-12(29)7-15(36-18)27-6-4-14(30)24-22(27)34/h3-4,6,11-13,15-19,28-29H,5,7-9,23H2,1-2H3,(H,32,33)(H,24,30,34)/t11-,12-,13+,15+,16-,17?,18-,19?/m0/s1
InChIKey KHAQYZWENFAJLP-MKZGKKIISA-N
SMILES O=C1N(C(C(=O)O)=CCN(C1C(O[C@@H]2O[C@H](CN)[C@H](C2)O)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)C[C@@H]3O)C)C
Metabolite of Species Details
Streptosporangium (NCBI:txid2000) See: PubMed
ChEBI Ontology
Outgoing Muraminomicin Z2 (CHEBI:222617) has functional parent α-amino acid (CHEBI:33704)
Muraminomicin Z2 (CHEBI:222617) is a organonitrogen compound (CHEBI:35352)
Muraminomicin Z2 (CHEBI:222617) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid