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CHEBI:199731 - Philipimycin

ChEBI IDCHEBI:199731
ChEBI NamePhilipimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H50BrN7O10
Net Charge0
Average Mass844.761
Monoisotopic Mass843.28025
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)/C=C/C=C/C=C/C=C/c2ccc(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C38H50BrN7O10/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h7-17,20-22,25-26,31-33,47H,6,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b9-7+,10-8+,13-11+,14-12+/t21-,22-,25+,26+,31+,32+,33+/m1/s1
InChIKeyVJNFPXDPZJZUKS-DSJRILELSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (18698773)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Philipimycin (CHEBI:199731) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual XrefsDatabases
17264465ChemSpider