Ulongamide E (CHEBI:211782)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211782 - Ulongamide E

Take structure to advanced search

ChEBI ID	CHEBI:211782
ChEBI Name	Ulongamide E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H51N5O7S
Net Charge	0
Average Mass	685.888
Monoisotopic Mass	685.35092
SMILES	CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C
InChI	InChI=1S/C35H51N5O7S/c1-10-12-25-21(6)35(46)47-29(20(5)11-2)34(45)39(8)27(17-23-13-15-24(41)16-14-23)33(44)40(9)28(19(3)4)31(43)36-22(7)32-38-26(18-48-32)30(42)37-25/h13-16,18-22,25,27-29,41H,10-12,17H2,1-9H3,(H,36,43)(H,37,42)/t20-,21-,22-,25+,27-,28-,29-/m0/s1
InChIKey	WTSNBJFZSIXNHV-QPJFRRSWSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya (ncbitaxon:28073)	-	PubMed (12141859)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Ulongamide E (CHEBI:211782) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S,5S,8S,11S,14S,15R)-11-[(2S)-butan-2-yl]-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone

Manual Xrefs	Databases
10197024	ChemSpider