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CHEBI:223731 - Holrhizin L

ChEBI IDCHEBI:223731
ChEBI NameHolrhizin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66N6O10
Net Charge0
Average Mass803.011
Monoisotopic Mass802.48404
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](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C41H66N6O10/c1-9-10-11-12-16-19-32(48)46-34(25(4)5)40(55)45-31(23-28-17-14-13-15-18-28)39(54)43-29(20-21-33(49)50)37(52)44-30(22-24(2)3)38(53)42-27(8)36(51)47-35(26(6)7)41(56)57/h13-15,17-18,24-27,29-31,34-35H,9-12,16,19-23H2,1-8H3,(H,42,53)(H,43,54)(H,44,52)(H,45,55)(H,46,48)(H,47,51)(H,49,50)(H,56,57)/t27-,29-,30-,31-,34-,35-/m0/s1
InChIKeyQIWXEBJTRZRLCG-XQJLSMJRSA-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 L (CHEBI:223731) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid