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CHEBI:223736 - Holrhizin M

ChEBI IDCHEBI:223736
ChEBI NameHolrhizin M
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](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C
InChIInChI=1S/C40H64N6O10/c1-9-12-14-19-30(47)44-32(23(4)5)38(53)43-29(22-27-17-15-13-16-18-27)37(52)42-28(20-21-31(48)49)36(51)45-33(24(6)10-2)39(54)41-26(8)35(50)46-34(40(55)56)25(7)11-3/h13,15-18,23-26,28-29,32-34H,9-12,14,19-22H2,1-8H3,(H,41,54)(H,42,52)(H,43,53)(H,44,47)(H,45,51)(H,46,50)(H,48,49)(H,55,56)/t24-,25-,26-,28-,29-,32-,33-,34-/m0/s1
InChIKeyLZDLUFASMQAOOP-HQQWJEATSA-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 M (CHEBI:223736) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylpentanoic acid