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CHEBI:225294 - MBJ-0110

ChEBI IDCHEBI:225294
ChEBI NameMBJ-0110
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41N5O8
Net Charge0
Average Mass563.652
Monoisotopic Mass563.29551
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(=O)C[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@H](CCN2)OC1=O
InChIInChI=1S/C27H41N5O8/c1-3-15(2)22-27(39)40-16-9-10-28-17(13-16)23(34)29-18(26(37)38)14-21(33)31-12-6-8-20(31)25(36)32-11-5-4-7-19(32)24(35)30-22/h15-20,22,28H,3-14H2,1-2H3,(H,29,34)(H,30,35)(H,37,38)/t15-,16-,17-,18-,19-,20-,22-/m0/s1
InChIKeyDWANMGKSWFVGJG-LBYOCRPYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26152283)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
MBJ-0110 (CHEBI:225294) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(1S,4S,11S,18S,21S,24S)-21-[(2S)-butan-2-yl]-2,6,12,19,22-pentaoxo-23-oxa-3,7,13,20,27-pentazatetracyclo[22.3.1.07,11.013,18]octacosane-4-carboxylic acid
Manual XrefsDatabases
78441951ChemSpider