EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226538 - Homodestcardin

ChEBI IDCHEBI:226538
ChEBI NameHomodestcardin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H55N5O7
Net Charge0
Average Mass621.820
Monoisotopic Mass621.41015
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O
InChIInChI=1S/C32H55N5O7/c1-11-19(5)25-31(42)36(10)27(20(6)12-2)32(43)35(9)22(8)28(39)33-15-13-24(38)44-23(17-18(3)4)30(41)37-16-14-21(7)26(37)29(40)34-25/h18-23,25-27H,11-17H2,1-10H3,(H,33,39)(H,34,40)/t19-,20-,21-,22-,23+,25-,26-,27-/m0/s1
InChIKeyAIPPDKJKKDOWTJ-MKUQIKACSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Homodestcardin (CHEBI:226538) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,10S,13S,16S,19S,20S)-13,16-bis[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-3-(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
29213647ChemSpider