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CHEBI:202966 - Petrosifungin B

ChEBI IDCHEBI:202966
ChEBI NamePetrosifungin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H45N5O8
Net Charge0
Average Mass639.750
Monoisotopic Mass639.32681
SMILESCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C33H45N5O8/c1-19(2)26-32(44)37-18-8-11-24(37)30(42)36-16-6-4-9-23(36)31(43)38-17-7-5-10-25(38)33(45)46-20(3)27(29(41)34-26)35-28(40)21-12-14-22(39)15-13-21/h12-15,19-20,23-27,39H,4-11,16-18H2,1-3H3,(H,34,41)(H,35,40)/t20-,23+,24+,25+,26+,27+/m1/s1
InChIKeyRQAOOOGBRZTWIS-VUXQNLRASA-N
Species of MetaboliteComponentSourceComments
Penicillium brevicompactum (ncbitaxon:5074) - PubMed (15043401)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Petrosifungin B (CHEBI:202966) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-hydroxy-N-[(3S,9S,12S,13R,16S,23S)-13-methyl-2,8,11,15,22-pentaoxo-9-propan-2-yl-14-oxa-1,7,10,21-tetrazatetracyclo[21.4.0.03,7.016,21]heptacosan-12-yl]benzamide
Manual XrefsDatabases
10186289ChemSpider