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CHEBI:203373 - Petrosifungin A

ChEBI IDCHEBI:203373
ChEBI NamePetrosifungin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H45N5O7
Net Charge0
Average Mass623.751
Monoisotopic Mass623.33190
SMILESCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C33H45N5O7/c1-20(2)26-32(43)37-19-11-16-24(37)30(41)36-17-9-7-14-23(36)31(42)38-18-10-8-15-25(38)33(44)45-21(3)27(29(40)34-26)35-28(39)22-12-5-4-6-13-22/h4-6,12-13,20-21,23-27H,7-11,14-19H2,1-3H3,(H,34,40)(H,35,39)/t21-,23+,24+,25+,26+,27+/m1/s1
InChIKeyDZRYOWIZOWQPCR-JIGKBLADSA-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 A (CHEBI:203373) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
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
10186288ChemSpider