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CHEBI:80031 - Nostopeptolide A1

ChEBI IDCHEBI:80031
ChEBI NameNostopeptolide A1
Stars
DownloadsMolfile
FormulaC53H80N10O14
Net Charge0
Average Mass1081.279
Monoisotopic Mass1080.58555
SMILES[H][C@@]12C[C@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC)[C@@H](C)CC)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/C53H80N10O14/c1-9-12-43(67)61-46(31(8)10-2)50(73)60-38-27-77-53(76)39-13-11-18-62(39)51(74)37(22-32-14-16-33(64)17-15-32)59-48(71)36(23-42(54)66)57-45(69)25-55-47(70)35(20-29(5)6)56-44(68)24-41(65)34(19-28(3)4)58-49(72)40-21-30(7)26-63(40)52(38)75/h14-17,28-31,34-40,46,64H,9-13,18-27H2,1-8H3,(H2,54,66)(H,55,70)(H,56,68)(H,57,69)(H,58,72)(H,59,71)(H,60,73)(H,61,67)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
InChIKeyVJNXGGVCMFEVSM-ZABMOCCYSA-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 A1 (CHEBI:80031) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15697KEGG COMPOUND