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CHEBI:223763 - Holrhizin J

ChEBI IDCHEBI:223763
ChEBI NameHolrhizin J
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](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)C(C)C
InChIInChI=1S/C42H68N6O10/c1-9-11-12-13-17-20-33(49)47-35(26(5)6)40(55)45-31(24-29-18-15-14-16-19-29)39(54)44-30(21-22-34(50)51)38(53)48-36(27(7)10-2)41(56)43-28(8)37(52)46-32(42(57)58)23-25(3)4/h14-16,18-19,25-28,30-32,35-36H,9-13,17,20-24H2,1-8H3,(H,43,56)(H,44,54)(H,45,55)(H,46,52)(H,47,49)(H,48,53)(H,50,51)(H,57,58)/t27-,28-,30-,31-,32-,35-,36-/m0/s1
InChIKeyOGQCSQMGMPTWLE-CEHLDOHFSA-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 J (CHEBI:223763) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid