EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:46763 - tat-BP

ChEBI IDCHEBI:46763
ChEBI Nametat-BP
Stars
Last Modified20 July 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H59N7O20
Net Charge0
Average Mass921.908
Monoisotopic Mass921.38149
SMILES[H][C@@]1(O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)[C@@H](NC(C)=O)[C@@H]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1
InChIKeyUPFMKPIBAIPLHT-RSJSDIDPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
tat-BP (CHEBI:46763) is a N-acetyl-β-D-glycosaminyl glycopeptide (CHEBI:17149)
tat-BP (CHEBI:46763) is conjugate acid of tat-BP(2−) (CHEBI:195208)
Incoming Relation(s)
tat-BP(2−) (CHEBI:195208) is conjugate base of tat-BP (CHEBI:46763)
IUPAC Name 
N-[(2R)-2-{[(1R,2S,3R,4R,5R)-4-acetamido-2-(2-acetamido-2-deoxy-β-D-glucopyranosyloxy)-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoyl]-L-alanyl-N-[(1S,5R)-5-amino-5-carboxy-1-{[(1R)-1-carboxyethyl]carbamoyl}pentyl]-D-glutamine
Synonyms  Source
N-(N-acetyl-4-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-1,6-anhydro-beta-muramoyl)-L-alanyl-D-gamma-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanineChemIDplus
N-[N-acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl-D-γ-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanineChEBI
Registry NumbersSources
CAS:94102-64-4ChemIDplus
Citations