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CHEBI:214596 - Apratyramide

ChEBI IDCHEBI:214596
ChEBI NameApratyramide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H60N4O10
Net Charge0
Average Mass804.982
Monoisotopic Mass804.43094
SMILESCC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C)C(=O)N[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(C)C
InChIInChI=1S/C44H60N4O10/c1-11-28(4)39(58-44(55)36(46(5)6)25-31-16-22-34(56-9)23-17-31)40(51)45-38(27(2)3)42(53)47(7)35(24-29-12-18-32(49)19-13-29)41(52)48(8)37(43(54)57-10)26-30-14-20-33(50)21-15-30/h12-23,27-28,35-39,49-50H,11,24-26H2,1-10H3,(H,45,51)/t28-,35-,36-,37-,38+,39+/m0/s1
InChIKeyMOVAFFRTIYGUBZ-KLUCJIFESA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (29205032)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Apratyramide (CHEBI:214596) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[(2R,3S)-1-[[(2R)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl] (2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoate