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CHEBI:188770 - kahalalide V

ChEBI IDCHEBI:188770
ChEBI Namekahalalide V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47N7O6
Net Charge0
Average Mass613.760
Monoisotopic Mass613.35878
SMILESCC(C)CCC[C@H](O)CC(=O)N[C@H](Cc1cnc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C31H47N7O6/c1-19(2)8-5-9-21(39)17-27(40)36-25(16-20-18-35-23-11-4-3-10-22(20)23)29(42)38-15-7-13-26(38)28(41)37-24(30(43)44)12-6-14-34-31(32)33/h3-4,10-11,18-19,21,24-26,35,39H,5-9,12-17H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)(H4,32,33,34)/t21-,24-,25+,26-/m0/s1
InChIKeyHYYCBNZMVDXFIO-MRLUPLGUSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
kahalalide V (CHEBI:188770) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2R)-2-[[(3S)-3-hydroxy-7-methyloctanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
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