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CHEBI:227118 - Phototemtide C

ChEBI IDCHEBI:227118
ChEBI NamePhototemtide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H51N5O8
Net Charge0
Average Mass645.798
Monoisotopic Mass645.37376
SMILESCCCC[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/C33H51N5O8/c1-7-9-15-23-17-25(40)34-18-26(41)36-27(19(3)4)31(43)35-24(16-22-13-11-10-12-14-22)30(42)38-29(21(6)39)32(44)37-28(20(5)8-2)33(45)46-23/h10-14,19-21,23-24,27-29,39H,7-9,15-18H2,1-6H3,(H,34,40)(H,35,43)(H,36,41)(H,37,44)(H,38,42)/t20-,21+,23+,24+,27-,28-,29-/m0/s1
InChIKeyHOEKHVZZEMPTKC-VRNKCVKZSA-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 C (CHEBI:227118) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19R)-9-benzyl-3-[(2S)-butan-2-yl]-19-butyl-6-[(1R)-1-hydroxyethyl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone