EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227107 - Phototemtide A

ChEBI IDCHEBI:227107
ChEBI NamePhototemtide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H53N5O8
Net Charge0
Average Mass659.825
Monoisotopic Mass659.38941
SMILESCCCCC[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/C34H53N5O8/c1-7-9-11-16-24-18-26(41)35-19-27(42)37-28(20(3)4)32(44)36-25(17-23-14-12-10-13-15-23)31(43)39-30(22(6)40)33(45)38-29(21(5)8-2)34(46)47-24/h10,12-15,20-22,24-25,28-30,40H,7-9,11,16-19H2,1-6H3,(H,35,41)(H,36,44)(H,37,42)(H,38,45)(H,39,43)/t21-,22+,24+,25+,28-,29-,30-/m0/s1
InChIKeyHGPXRBNTPJNLNZ-XFMXPLRXSA-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 A (CHEBI:227107) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19R)-9-benzyl-3-[(2S)-butan-2-yl]-6-[(1R)-1-hydroxyethyl]-19-pentyl-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone