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CHEBI:224335 - Petrosamide B

ChEBI IDCHEBI:224335
ChEBI NamePetrosamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N6O10
Net Charge0
Average Mass792.931
Monoisotopic Mass792.40579
SMILESCCC(=O)N[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O[C@@H]1C
InChIInChI=1S/C41H56N6O10/c1-8-32(50)43-35-24(6)57-41(56)29(20-25-11-15-27(48)16-12-25)42-37(52)31(21-26-13-17-28(49)18-14-26)46(7)39(54)33(22(2)3)44-36(51)30-10-9-19-47(30)40(55)34(23(4)5)45-38(35)53/h11-18,22-24,29-31,33-35,48-49H,8-10,19-21H2,1-7H3,(H,42,52)(H,43,50)(H,44,51)(H,45,53)/t24-,29+,30+,31+,33+,34+,35+/m1/s1
InChIKeyOKPJQBXDJJNKEZ-FQSCHKSTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32662266)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Petrosamide B (CHEBI:224335) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,6S,7R,10S,13S,16S,19S)-10,13-bis[(4-hydroxyphenyl)methyl]-7,14-dimethyl-2,5,9,12,15,18-hexaoxo-3,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]propanamide
Manual XrefsDatabases
86596093ChemSpider