CHEBI:198531 - Oscillapeptin F

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Oscillapeptin F
ChEBI ID CHEBI:198531
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H79N9O18S
Net Charge 0
Average Mass 1162.320
Monoisotopic Mass 1161.52638
InChI InChI=1S/C53H79N9O18S/c1-8-29(3)41-53(74)80-31(5)42(59-45(65)36(23-20-32-18-21-34(63)22-19-32)56-47(67)39(78-7)28-79-81(75,76)77)48(68)60-44(55-26-14-13-17-35(54)52(72)73)49(69)57-37-24-25-40(64)62(50(37)70)43(30(4)9-2)51(71)61(6)38(46(66)58-41)27-33-15-11-10-12-16-33/h10-12,15-16,18-19,21-22,29-31,35-44,55,63-64H,8-9,13-14,17,20,23-28,54H2,1-7H3,(H,56,67)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,72,73)(H,75,76,77)/t29-,30-,31+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44+/m0/s1
InChIKey GZNGQAWLMAYAIL-FYOSJJOPSA-N
SMILES S(=O)(=O)(OC[C@@H](OC)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](NCCCC[C@@H](N)C(=O)O)C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)CCC4=CC=C(O)C=C4)O
Metabolite of Species Details
Planktothrix agardhii (NCBI:txid1160) See: DOI
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 Oscillapeptin F (CHEBI:198531) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R)-2-amino-6-[[(2S,5S,8S,11R,12S,15R,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-21-hydroxy-12-[[(2R)-4-(4-hydroxyphenyl)-2-[[(2R)-2-methoxy-3-sulooxypropanoyl]amino]butanoyl]amino]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-15-yl]amino]hexanoic acid
Manual Xref Database
78436369 ChemSpider
View more database links