EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182701 - Microsporin B

ChEBI IDCHEBI:182701
ChEBI NameMicrosporin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N4O5
Net Charge0
Average Mass514.667
Monoisotopic Mass514.31552
SMILES[H][C@]12CCCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCCC(O)CC)NC2=O
InChIInChI=1S/C28H42N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,21-24,33H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)/t19-,21?,22-,23-,24+/m0/s1
InChIKeyZRWKFXOGNFQPMY-SKZIAFMESA-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)
Microsporin B (CHEBI:182701) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R)-3-benzyl-9-(6-hydroxyoctyl)-6-methyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Manual XrefsDatabases
23076378ChemSpider