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CHEBI:202647 - Boletocrocin G

ChEBI IDCHEBI:202647
ChEBI NameBoletocrocin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35N3O7
Net Charge0
Average Mass513.591
Monoisotopic Mass513.24750
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(N)=O)C(=O)O)C(=O)O
InChIInChI=1S/C27H35N3O7/c1-3-20(2)25(27(36)37)30-24(33)17-15-13-11-9-7-5-4-6-8-10-12-14-16-23(32)29-21(26(34)35)18-19-22(28)31/h4-17,20-21,25H,3,18-19H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)(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
InChIKeyCNIODEQJTNEOAX-VHOBQHEYSA-N
Species of MetaboliteComponentSourceComments
Crocinoboletus laetissimus (ncbitaxon:1522523) - DOI (10.1016/s0031-9422(98)00319-7)
ChEBI Ontology
Outgoing Relation(s)
Boletocrocin G (CHEBI:202647) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S,3S)-2-[[(2E,4E,6E,8E,10E,12E,14E)-16-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]-3-methylpentanoic acid
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