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CHEBI:214616 - Loggerpeptin C

ChEBI IDCHEBI:214616
ChEBI NameLoggerpeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H70N8O12
Net Charge0
Average Mass975.154
Monoisotopic Mass974.51132
SMILESC/C=C(\NC(=O)[C@H](C)NC(=O)CCC)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
InChIInChI=1S/C50H70N8O12/c1-10-15-39(60)51-29(7)43(62)52-34(11-2)44(63)56-42-30(8)70-50(69)41(28(5)6)55-46(65)37(25-32-18-20-33(59)21-19-32)57(9)49(68)38(26-31-16-13-12-14-17-31)58-40(61)23-22-35(48(58)67)53-45(64)36(24-27(3)4)54-47(42)66/h11-14,16-21,27-30,35-38,40-42,59,61H,10,15,22-26H2,1-9H3,(H,51,60)(H,52,62)(H,53,64)(H,54,66)(H,55,65)(H,56,63)/b34-11-/t29-,30+,35-,36-,37-,38-,40+,41-,42-/m0/s1
InChIKeyROIGLVLBYBHXSI-DWEIPXDCSA-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 C (CHEBI:214616) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-N-[(2S,5S,8S,11R,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]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]but-2-enamide
Manual XrefsDatabases
65321351ChemSpider