Concept information
Preferred term
GE 23077A1
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C31H49N9O16
inchi
- InChI=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)
inchikey
- TYJKJQLKDPSIMY-UHFFFAOYSA-N
mass
- 803.780
monoisotopicmass
- 803.32973
smiles
- O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)C(O)C(=O)N)C(NC(C(NCC(C(NC1C(=O)O)=O)O)=O)C(O)C)=O)C(C)C)CO)CNC(=O)C(=CC)C
subset
- 2_STAR
synonym EXACT
- (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
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:201588
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