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CHEBI:200126 - Porpoisamide B

ChEBI IDCHEBI:200126
ChEBI NamePorpoisamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50N4O6
Net Charge0
Average Mass598.785
Monoisotopic Mass598.37304
SMILESCCCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@@H]1C
InChIInChI=1S/C33H50N4O6/c1-7-9-11-17-25-22(4)33(42)43-28(21(3)8-2)32(41)37-19-14-18-26(37)31(40)36(6)27(20-24-15-12-10-13-16-24)30(39)34-23(5)29(38)35-25/h10,12-13,15-16,21-23,25-28H,7-9,11,14,17-20H2,1-6H3,(H,34,39)(H,35,38)/t21-,22+,23-,25+,26-,27+,28-/m0/s1
InChIKeyJLTRPFNFKJZRBM-RQOKZZPKSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (21705224)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Porpoisamide B (CHEBI:200126) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,7R,10S,13R,16S)-13-benzyl-3-[(2S)-butan-2-yl]-6,10,14-trimethyl-7-pentyl-4-oxa-1,8,11,14-tetrazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Manual XrefsDatabases
27025759ChemSpider