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CHEBI:225862 - Pedein B

ChEBI IDCHEBI:225862
ChEBI NamePedein B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N8O13
Net Charge0
Average Mass890.948
Monoisotopic Mass890.38103
SMILESCO[C@H]1C(=O)N[C@]2(O)CC(=O)N(C)CC(=O)N[C@H](Cc3cnc4ccccc34)C(=O)NCC(=O)NC[C@@H](O)CC(=O)N[C@H]([C@H](O)[C@@H](O)C/C=C/C=C/c3ccccc3)[C@H](O)C(=O)N[C@@H]12
InChIInChI=1S/C43H54N8O13/c1-51-23-33(56)47-29(17-25-20-44-28-15-10-9-14-27(25)28)40(60)46-22-32(55)45-21-26(52)18-31(54)48-35(36(58)30(53)16-8-4-7-13-24-11-5-3-6-12-24)37(59)41(61)49-39-38(64-2)42(62)50-43(39,63)19-34(51)57/h3-15,20,26,29-30,35-39,44,52-53,58-59,63H,16-19,21-23H2,1-2H3,(H,45,55)(H,46,60)(H,47,56)(H,48,54)(H,49,61)(H,50,62)/b8-4+,13-7+/t26-,29+,30-,35+,36+,37-,38+,39-,43-/m0/s1
InChIKeyNPRMKCREBUKCFL-HSAUEMKYSA-N
Species of MetaboliteComponentSourceComments
Chondromyces pediculatus (ncbitaxon:83447) - PubMed (18305355)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pedein B (CHEBI:225862) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(1S,4S,5R,9S,16R,23S,26R)-5-[(1S,2S,4E,6E)-1,2-dihydroxy-7-phenylhepta-4,6-dienyl]-4,9,23-trihydroxy-16-(1H-indol-3-ylmethyl)-26-methoxy-20-methyl-2,6,11,14,17,20,24-heptazabicyclo[21.3.0]hexacosane-3,7,12,15,18,21,25-heptone
Manual XrefsDatabases
78442679ChemSpider