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CHEBI:217080 - Flavipeside A

ChEBI IDCHEBI:217080
ChEBI NameFlavipeside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H42Cl2N5O8
Net Charge+1
Average Mass815.731
Monoisotopic Mass814.24050
SMILESCOC(=O)c1c(-n2ccc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)[N+](C)(C)C)n2)c(O)cc2oc3c(Cl)c(C)c(Cl)c(O)c3c(=O)c12
InChIInChI=1S/C42H41Cl2N5O8/c1-23-34(43)38(52)33-37(51)31-30(57-39(33)35(23)44)22-29(50)36(32(31)42(55)56-5)48-19-17-26(47-48)16-18-45-40(53)27(20-24-12-8-6-9-13-24)46-41(54)28(49(2,3)4)21-25-14-10-7-11-15-25/h6-15,17,19,22,27-28H,16,18,20-21H2,1-5H3,(H3-,45,46,50,51,52,53,54)/p+1/t27-,28-/m0/s1
InChIKeyGKEUSKLCKBRYJR-NSOVKSMOSA-O
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32057246)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Flavipeside A (CHEBI:217080) is a dipeptide (CHEBI:46761)
IUPAC Name 
[(2S)-1-[[(2S)-1-[2-[1-(5,7-dichloro-3,8-dihydroxy-1-methoxycarbonyl-6-methyl-9-oxoxanthen-2-yl)pyrazol-3-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium