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CHEBI:203766 - Phaeofungin

ChEBI IDCHEBI:203766
ChEBI NamePhaeofungin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H69N7O16
Net Charge0
Average Mass904.025
Monoisotopic Mass903.48008
SMILESCCCCCCCCCCCCC(C)(O)C1CC(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H]([C@@H](C)O)C(=O)O1
InChIInChI=1S/C40H69N7O16/c1-6-7-8-9-10-11-12-13-14-15-16-40(5,62)29-18-30(52)43-26(19-48)36(58)42-22(2)33(55)44-25(17-31(53)54)35(57)41-23(3)34(56)45-27(20-49)37(59)46-28(21-50)38(60)47-32(24(4)51)39(61)63-29/h22-29,32,48-51,62H,6-21H2,1-5H3,(H,41,57)(H,42,58)(H,43,52)(H,44,55)(H,45,56)(H,46,59)(H,47,60)(H,53,54)/t22-,23+,24-,25-,26+,27-,28-,29?,32-,40?/m1/s1
InChIKeyWKSAMKWFSYJCOB-YRHXLCEASA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeriaspecies (ncbitaxon:1715242) - PubMed (23259972)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phaeofungin (CHEBI:203766) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3R,6R,9R,12S,15R,18R,21S)-3-[(1R)-1-hydroxyethyl]-6,9,21-tris(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-12,18-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-15-yl]acetic acid
Manual XrefsDatabases
78437053ChemSpider