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CHEBI:223772 - Holrhizin F

ChEBI IDCHEBI:223772
ChEBI NameHolrhizin F
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](C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C
InChIInChI=1S/C41H66N6O10/c1-8-11-12-13-17-20-31(48)45-34(25(4)5)40(55)44-30(23-28-18-15-14-16-19-28)38(53)43-29(21-22-33(50)51)37(52)47-35(26(6)9-2)39(54)42-24-32(49)46-36(41(56)57)27(7)10-3/h14-16,18-19,25-27,29-30,34-36H,8-13,17,20-24H2,1-7H3,(H,42,54)(H,43,53)(H,44,55)(H,45,48)(H,46,49)(H,47,52)(H,50,51)(H,56,57)/t26-,27-,29-,30-,34-,35-,36-/m0/s1
InChIKeyJSRANPZRFXTLDF-OZWIMJHESA-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 F (CHEBI:223772) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S,3S)-2-[[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]acetyl]amino]-3-methylpentanoic acid