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CHEBI:201588 - GE 23077A1

ChEBI IDCHEBI:201588
ChEBI NameGE 23077A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H49N9O16
Net Charge0
Average Mass803.780
Monoisotopic Mass803.32973
SMILESCC=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)
InChIKeyTYJKJQLKDPSIMY-UHFFFAOYSA-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)
GE 23077A1 (CHEBI:201588) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,5S,8R,11R,14S,17R,21R)-14-(3-amino-1,2-dihydroxy-3-oxopropyl)-21-hydroxy-17-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-5-[[[(E)-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