CHEBI:215244 - Streptopertusacin A

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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 Streptopertusacin A
ChEBI ID CHEBI:215244
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29N2O5S
Net Charge +1
Average Mass 433.540
Monoisotopic Mass 433.17917
InChI InChI=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
InChIKey RILBGEGSZCNKQV-NXLPWASNSA-O
SMILES S(C1=C2[N+](=CC=C1)[C@@H](/C=C(/C=C/C3CC3)\C)[C@@H]([C@]2(O)C)O)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomycesspecies HZP-2216E (NCBI:txid1742702) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78443816 ChemSpider
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