UCF-116-B (CHEBI:204163)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204163 - UCF-116-B

Take structure to advanced search

ChEBI ID	CHEBI:204163
ChEBI Name	UCF-116-B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H48N2O8
Net Charge	0
Average Mass	636.786
Monoisotopic Mass	636.34107
SMILES	CO[C@H]1C=C/C=C\C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1
InChI	InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14-15,18,20-21,24-25,29,31,33,39,41-42H,8-10,13,16-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5-,12-7-,18-11?,23-14-/t24-,25+,29-,31-,33-/m0/s1
InChIKey	SGUFCVVYQXHUGM-RXAIWMOISA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (10994815)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	UCF-116-B (CHEBI:204163) 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-(cyclohexene-1-carbonylamino)propanoate