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CHEBI:201289 - Pseudacyclin B

ChEBI IDCHEBI:201289
ChEBI NamePseudacyclin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59N7O7
Net Charge0
Average Mass725.932
Monoisotopic Mass725.44760
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCCNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C38H59N7O7/c1-8-23(5)31(40-25(7)46)36(50)41-27-17-13-19-39-35(49)30(22(3)4)43-37(51)32(24(6)9-2)44-34(48)29-18-14-20-45(29)38(52)28(42-33(27)47)21-26-15-11-10-12-16-26/h10-12,15-16,22-24,27-32H,8-9,13-14,17-21H2,1-7H3,(H,39,49)(H,40,46)(H,41,50)(H,42,47)(H,43,51)(H,44,48)/t23-,24-,27-,28+,29-,30-,31-,32-/m0/s1
InChIKeyOEECJUNDTYDCSR-XYEGUOSDSA-N
Species of MetaboliteComponentSourceComments
Scedosporium boydii (ncbitaxon:5597) - PubMed (20509707)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudacyclin B (CHEBI:201289) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3S)-2-acetamido-N-[(3R,6S,12S,15S,18S)-3-benzyl-15-[(2S)-butan-2-yl]-2,5,11,14,17-pentaoxo-12-propan-2-yl-1,4,10,13,16-pentazabicyclo[16.3.0]henicosan-6-yl]-3-methylpentanamide
Manual XrefsDatabases
78436746ChemSpider