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CHEBI:80032 - Nostopeptolide A2

ChEBI IDCHEBI:80032
ChEBI NameNostopeptolide A2
Stars
DownloadsMolfile
FormulaC52H78N10O14
Net Charge0
Average Mass1067.252
Monoisotopic Mass1066.56990
SMILES[H][C@@]12C[C@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC)C(C)C)COC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CC(=O)[C@H](CC(C)C)NC2=O
InChIInChI=1S/C52H78N10O14/c1-9-11-42(66)60-45(29(6)7)49(72)59-37-26-76-52(75)38-12-10-17-61(38)50(73)36(21-31-13-15-32(63)16-14-31)58-47(70)35(22-41(53)65)56-44(68)24-54-46(69)34(19-28(4)5)55-43(67)23-40(64)33(18-27(2)3)57-48(71)39-20-30(8)25-62(39)51(37)74/h13-16,27-30,33-39,45,63H,9-12,17-26H2,1-8H3,(H2,53,65)(H,54,69)(H,55,67)(H,56,68)(H,57,71)(H,58,70)(H,59,72)(H,60,66)/t30-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1
InChIKeyUEVIIAJOLZZKQH-PFARYBADSA-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)
Nostopeptolide A2 (CHEBI:80032) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15698KEGG COMPOUND