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CHEBI:215244 - Streptopertusacin A

ChEBI IDCHEBI:215244
ChEBI NameStreptopertusacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29N2O5S
Net Charge+1
Average Mass433.550
Monoisotopic Mass433.17917
SMILESCC(=O)N[C@@H](CSc1ccc[n+]2c1[C@](C)(O)[C@@H](O)[C@@H]2/C=C(C)/C=C/C1CC1)C(=O)O
InChIInChI=1S/C22H28N2O5S/c1-13(6-7-15-8-9-15)11-17-20(26)22(3,29)19-18(5-4-10-24(17)19)30-12-16(21(27)28)23-14(2)25/h4-7,10-11,15-17,20,26,29H,8-9,12H2,1-3H3,(H-,23,25,27,28)/p+1/b7-6+,13-11+/t16-,17-,20-,22-/m0/s1
InChIKeyRILBGEGSZCNKQV-NXLPWASNSA-O
Species of MetaboliteComponentSourceComments
Streptomycesspecies HZP-2216E (ncbitaxon:1742702) - PubMed (28923323)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Streptopertusacin A (CHEBI:215244) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2R)-2-acetamido-3-[[(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methylbuta-1,3-dienyl]-1,2-dihydroxy-1-methyl-2,3-dihydroindolizin-4-ium-8-yl]sulanyl]propanoic acid
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78443816ChemSpider