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CHEBI:223794 - Holrhizin K

ChEBI IDCHEBI:223794
ChEBI NameHolrhizin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68N6O10
Net Charge0
Average Mass817.038
Monoisotopic Mass816.49969
SMILESCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
InChIInChI=1S/C42H68N6O10/c1-9-10-11-12-16-19-34(49)48-36(27(6)7)41(56)46-32(24-29-17-14-13-15-18-29)40(55)44-30(20-21-35(50)51)38(53)45-31(22-25(2)3)39(54)43-28(8)37(52)47-33(42(57)58)23-26(4)5/h13-15,17-18,25-28,30-33,36H,9-12,16,19-24H2,1-8H3,(H,43,54)(H,44,55)(H,45,53)(H,46,56)(H,47,52)(H,48,49)(H,50,51)(H,57,58)/t28-,30-,31-,32-,33-,36-/m0/s1
InChIKeyXUOVBZITANWHNL-AFAGGTBKSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (32031805)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Holrhizin K (CHEBI:223794) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid