EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227122 - Phototemtide D

ChEBI IDCHEBI:227122
ChEBI NamePhototemtide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H55N5O8
Net Charge0
Average Mass673.852
Monoisotopic Mass673.40506
SMILESCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
InChIInChI=1S/C35H55N5O8/c1-7-9-10-14-17-25-19-27(42)36-20-28(43)38-29(21(3)4)33(45)37-26(18-24-15-12-11-13-16-24)32(44)40-31(23(6)41)34(46)39-30(22(5)8-2)35(47)48-25/h11-13,15-16,21-23,25-26,29-31,41H,7-10,14,17-20H2,1-6H3,(H,36,42)(H,37,45)(H,38,43)(H,39,46)(H,40,44)/t22-,23+,25+,26+,29-,30-,31-/m0/s1
InChIKeySGNUCAXHUKLAMR-ICYUVRCSSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus (ncbitaxon:29487) - PubMed (31814269)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phototemtide D (CHEBI:227122) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19R)-9-benzyl-3-[(2S)-butan-2-yl]-19-hexyl-6-[(1R)-1-hydroxyethyl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone