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CHEBI:214605 - Loggerpeptin B

ChEBI IDCHEBI:214605
ChEBI NameLoggerpeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H83N9O15
Net Charge0
Average Mass1134.339
Monoisotopic Mass1133.60086
SMILESCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1C)[C@@H](C)OC(=O)[C@H](C)NC(=O)CCC
InChIInChI=1S/C57H83N9O15/c1-12-17-43(68)58-32(7)49(71)63-48(34(9)80-56(78)33(8)59-44(69)18-13-2)53(75)64-47-35(10)81-57(79)46(31(5)6)62-51(73)41(28-37-21-23-38(67)24-22-37)65(11)55(77)42(29-36-19-15-14-16-20-36)66-45(70)26-25-39(54(66)76)60-50(72)40(27-30(3)4)61-52(47)74/h14-16,19-24,30-35,39-42,45-48,67,70H,12-13,17-18,25-29H2,1-11H3,(H,58,68)(H,59,69)(H,60,72)(H,61,74)(H,62,73)(H,63,71)(H,64,75)/t32-,33-,34+,35-,39-,40-,41-,42-,45+,46-,47-,48+/m0/s1
InChIKeyWQBNRZSYFLXKOU-SAVASHKUSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies (ncbitaxon:47254) - PubMed (29405541)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Loggerpeptin B (CHEBI:214605) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(2R,3R)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-2-(butanoylamino)propanoyl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate