EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209756 - GE23077 B1/B2

ChEBI IDCHEBI:209756
ChEBI NameGE23077 B1/B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H51N9O16
Net Charge0
Average Mass805.796
Monoisotopic Mass805.34538
SMILESCC(C)CC(=O)NCC1NC(=O)C(C(=O)O)NC(=O)C(O)CNC(=O)C(C(C)O)NC(=O)C(C(O)C(O)C(N)=O)NC(=O)C(C(C)C)NC(=O)C(CO)NC1=O
InChIInChI=1S/C31H51N9O16/c1-10(2)6-16(44)33-7-13-24(48)36-14(9-41)25(49)37-17(11(3)4)28(52)39-19(21(45)22(46)23(32)47)29(53)38-18(12(5)42)27(51)34-8-15(43)26(50)40-20(31(55)56)30(54)35-13/h10-15,17-22,41-43,45-46H,6-9H2,1-5H3,(H2,32,47)(H,33,44)(H,34,51)(H,35,54)(H,36,48)(H,37,49)(H,38,53)(H,39,52)(H,40,50)(H,55,56)
InChIKeyXIVBOCXYLSIBCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (15152807)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
GE23077 B1/B2 (CHEBI:209756) is a peptide (CHEBI:16670)
IUPAC Name 
14-(3-amino-1,2-dihydroxy-3-oxopropyl)-21-hydroxy-17-(1-hydroxyethyl)-8-(hydroxymethyl)-5-[(3-methylbutanoylamino)methyl]-3,6,9,12,15,18,22-heptaoxo-11-propan-2-yl-1,4,7,10,13,16,19-heptazacyclodocosane-2-carboxylic acid
Manual XrefsDatabases
8094464ChemSpider