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CHEBI:221429 - Dehydrosinefungin V

ChEBI IDCHEBI:221429
ChEBI NameDehydrosinefungin V
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N8O6
Net Charge0
Average Mass478.510
Monoisotopic Mass478.22883
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC[C@H](N)C=C1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C20H30N8O6/c1-8(2)12(20(32)33)27-18(31)10(22)4-3-9(21)5-11-14(29)15(30)19(34-11)28-7-26-13-16(23)24-6-25-17(13)28/h5-10,12,14-15,19,29-30H,3-4,21-22H2,1-2H3,(H,27,31)(H,32,33)(H2,23,24,25)/t9-,10-,12-,14+,15+,19+/m0/s1
InChIKeyUDECQDDIZRDHFH-FSMGVUPRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20859291)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dehydrosinefungin V (CHEBI:221429) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,5S)-2,5-diamino-6-[(3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-ylidene]hexanoyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
78438220ChemSpider