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CHEBI:227112 - Phototemtide B

ChEBI IDCHEBI:227112
ChEBI NamePhototemtide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H49N5O8
Net Charge0
Average Mass631.771
Monoisotopic Mass631.35811
SMILESCCC[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/C32H49N5O8/c1-7-12-22-16-24(39)33-17-25(40)35-26(18(3)4)30(42)34-23(15-21-13-10-9-11-14-21)29(41)37-28(20(6)38)31(43)36-27(19(5)8-2)32(44)45-22/h9-11,13-14,18-20,22-23,26-28,38H,7-8,12,15-17H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,43)(H,37,41)/t19-,20+,22+,23+,26-,27-,28-/m0/s1
InChIKeyJGKYVFFNFFNSHD-BYWXCQPYSA-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 B (CHEBI:227112) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19R)-9-benzyl-3-[(2S)-butan-2-yl]-6-[(1R)-1-hydroxyethyl]-12-propan-2-yl-19-propyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone