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CHEBI:198531 - Oscillapeptin F

ChEBI IDCHEBI:198531
ChEBI NameOscillapeptin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H79N9O18S
Net Charge0
Average Mass1162.327
Monoisotopic Mass1161.52638
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](NCCCC[C@@H](N)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](CCc2ccc(O)cc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)[C@@H](C)OC1=O
InChIInChI=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
InChIKeyGZNGQAWLMAYAIL-FYOSJJOPSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - DOI (10.1016/s0040-4020(99)00341-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78436369ChemSpider