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CHEBI:222198 - UCF-116-C

ChEBI IDCHEBI:222198
ChEBI NameUCF-116-C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46N2O8
Net Charge0
Average Mass610.748
Monoisotopic Mass610.32542
SMILESC/C=C(\C)C(=O)N[C@H](C)C(=O)O[C@H]1C/C=C\C=C/C=C[C@H](OC)CC(=O)Nc2cc(O)cc(c2O)CC/C=C(/C)[C@H](O)[C@H]1C
InChIInChI=1S/C34H46N2O8/c1-7-21(2)33(41)35-24(5)34(42)44-29-17-12-10-8-9-11-16-27(43-6)20-30(38)36-28-19-26(37)18-25(32(28)40)15-13-14-22(3)31(39)23(29)4/h7-12,14,16,18-19,23-24,27,29,31,37,39-40H,13,15,17,20H2,1-6H3,(H,35,41)(H,36,38)/b9-8-,12-10-,16-11?,21-7+,22-14-/t23-,24+,27-,29-,31-/m0/s1
InChIKeyXCJPPAFCCOSJBT-HKKZGMPRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (10994815)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
UCF-116-C (CHEBI:222198) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5R,8Z,10Z,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-[[(E)-2-methylbut-2-enoyl]amino]propanoate