EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197584 - GE23077 A1/A2

ChEBI IDCHEBI:197584
ChEBI NameGE23077 A1/A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H49N9O16
Net Charge0
Average Mass803.780
Monoisotopic Mass803.32973
SMILESC/C=C(/C)C(=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/C31H49N9O16/c1-6-11(4)23(47)33-7-13-24(48)36-14(9-41)25(49)37-16(10(2)3)28(52)39-18(20(44)21(45)22(32)46)29(53)38-17(12(5)42)27(51)34-8-15(43)26(50)40-19(31(55)56)30(54)35-13/h6,10,12-21,41-45H,7-9H2,1-5H3,(H2,32,46)(H,33,47)(H,34,51)(H,35,54)(H,36,48)(H,37,49)(H,38,53)(H,39,52)(H,40,50)(H,55,56)/b11-6-
InChIKeyTYJKJQLKDPSIMY-WDZFZDKYSA-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 A1/A2 (CHEBI:197584) is a peptide (CHEBI:16670)
IUPAC Name 
14-(3-amino-1,2-dihydroxy-3-oxopropyl)-21-hydroxy-17-(1-hydroxyethyl)-8-(hydroxymethyl)-5-[[[(Z)-2-methylbut-2-enoyl]amino]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
8435246ChemSpider