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CHEBI:210453 - Aeruginosamide 639

ChEBI IDCHEBI:210453
ChEBI NameAeruginosamide 639
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H45N5O6S
Net Charge0
Average Mass639.819
Monoisotopic Mass639.30906
SMILESC=CC(C)(C)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1c1nc(C(=O)OC)cs1)C(C)C
InChIInChI=1S/C33H45N5O6S/c1-7-33(4,5)36-23(18-21-12-14-22(39)15-13-21)28(40)35-27(20(2)3)31(42)38-17-9-11-26(38)30(41)37-16-8-10-25(37)29-34-24(19-45-29)32(43)44-6/h7,12-15,19-20,23,25-27,36,39H,1,8-11,16-18H2,2-6H3,(H,35,40)
InChIKeySGQDBLJQURGTKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Limnoraphisspecies CCNP1324 (ncbitaxon:2854020) - PubMed (32867236)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aeruginosamide 639 (CHEBI:210453) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl 2-[1-[1-[2-[[3-(4-hydroxyphenyl)-2-(2-methylbut-3-en-2-ylamino)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate