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CHEBI:202871 - Itralamide B

ChEBI IDCHEBI:202871
ChEBI NameItralamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58Cl2N6O8
Net Charge0
Average Mass797.822
Monoisotopic Mass796.36932
SMILESCC(CC(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(Cl)Cl
InChIInChI=1S/C38H58Cl2N6O8/c1-20(2)29-36(51)44(10)24(7)35(50)45(11)27(19-26-16-14-13-15-17-26)34(49)42-30(21(3)4)38(53)54-25(8)31(37(52)43(9)23(6)33(48)41-29)46(12)28(47)18-22(5)32(39)40/h13-17,20-25,27,29-32H,18-19H2,1-12H3,(H,41,48)(H,42,49)/t22?,23-,24-,25+,27+,29+,30-,31-/m0/s1
InChIKeySZZBMDKRUBNFQR-ONAOHADISA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (19739598)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Itralamide B (CHEBI:202871) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,6R,9S,12R,15S,18S,19R)-6-benzyl-7,9,10,15,16,19-hexamethyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4,4-dichloro-N,3-dimethylbutanamide
Manual XrefsDatabases
24655941ChemSpider