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CHEBI:223747 - Holrhizin O

ChEBI IDCHEBI:223747
ChEBI NameHolrhizin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H64N6O10
Net Charge0
Average Mass788.984
Monoisotopic Mass788.46839
SMILESCCCCCC(=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](C(=O)O)[C@@H](C)CC)C(C)C
InChIInChI=1S/C40H64N6O10/c1-9-11-13-18-31(47)45-33(24(5)6)39(54)44-30(22-27-16-14-12-15-17-27)38(53)42-28(19-20-32(48)49)36(51)43-29(21-23(3)4)37(52)41-26(8)35(50)46-34(40(55)56)25(7)10-2/h12,14-17,23-26,28-30,33-34H,9-11,13,18-22H2,1-8H3,(H,41,52)(H,42,53)(H,43,51)(H,44,54)(H,45,47)(H,46,50)(H,48,49)(H,55,56)/t25-,26-,28-,29-,30-,33-,34-/m0/s1
InChIKeyKITSBJVDRWCLEG-OURJAEHKSA-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 O (CHEBI:223747) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylpentanoic acid