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CHEBI:208830 - Boletocrocin F

ChEBI IDCHEBI:208830
ChEBI NameBoletocrocin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34N2O8
Net Charge0
Average Mass514.575
Monoisotopic Mass514.23152
SMILESCC[C@H](C)[C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C27H34N2O8/c1-3-20(2)25(27(36)37)29-23(31)17-15-13-11-9-7-5-4-6-8-10-12-14-16-22(30)28-21(26(34)35)18-19-24(32)33/h4-17,20-21,25H,3,18-19H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)(H,36,37)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t20-,21-,25-/m0/s1
InChIKeyAHLSXWWYLQGXPJ-VHOBQHEYSA-N
Species of MetaboliteComponentSourceComments
Crocinoboletus laetissimus (ncbitaxon:1522523) - DOI (10.1016/s0031-9422(98)00319-7)
ChEBI Ontology
Outgoing Relation(s)
Boletocrocin F (CHEBI:208830) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-[[(2E,4E,6E,8E,10E,12E,14E)-16-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]pentanedioic acid
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78438458ChemSpider