EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219125 - Urumamide

ChEBI IDCHEBI:219125
ChEBI NameUrumamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90N8O10
Net Charge0
Average Mass975.327
Monoisotopic Mass974.67799
SMILESCC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC)[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1C
InChIInChI=1S/C51H90N8O10/c1-20-32(13)41-51(68)69-42(31(11)12)50(67)55(16)34(15)46(63)56(17)38(26-28(5)6)48(65)57(18)40(30(9)10)49(66)59-24-22-23-37(59)44(61)54-39(29(7)8)45(62)52-35(21-2)33(14)43(60)53-36(25-27(3)4)47(64)58(41)19/h27-42H,20-26H2,1-19H3,(H,52,62)(H,53,60)(H,54,61)/t32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42+/m0/s1
InChIKeyQSZUTKACGNSKBA-IBIXCCNUSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - DOI (10.1016/j.tetlet.2016.08.012)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Urumamide (CHEBI:219125) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12R,15S,18S,21S,22R,25S,28S)-15-[(2S)-butan-2-yl]-22-ethyl-4,7,9,10,16,21-hexamethyl-6,18-bis(2-methylpropyl)-3,12,25-tri(propan-2-yl)-13-oxa-1,4,7,10,16,19,23,26-octazabicyclo[26.3.0]hentriacontane-2,5,8,11,14,17,20,24,27-nonone
Manual XrefsDatabases
58197148ChemSpider