CHEBI:80076 - Aeruginopeptin 917S-A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aeruginopeptin 917S-A
ChEBI ID CHEBI:80076
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C54H72N8O15
Net Charge 0
Average Mass 1073.19410
Monoisotopic Mass 1072.512
InChI InChI=1S/C54H72N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8-19,28-30,37-42,44-46,63-66,68H,7,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)/t29-,30+,37-,38-,39-,40-,41-,42+,44+,45-,46-/m0/s1
InChIKey GZJSMNOPCVUYFU-VWEGKJGISA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@H](C)OC1=O)C2=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Aeruginopeptin 917S-A (CHEBI:80076) is a cyclodepsipeptide (CHEBI:35213)
Synonym Source
Microcystilide A KEGG COMPOUND
Manual Xref Database
C15748 KEGG COMPOUND
View more database links